{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "from collections import defaultdict\n",
    "import pandas as pd\n",
    "import numpy as np\n",
    "import os, re, time, requests, sys\n",
    "from retrying import retry\n",
    "from multiprocessing.dummy import Pool\n",
    "from Bio.PDB.MMCIF2Dict import MMCIF2Dict\n",
    "sys.path.append('./')\n",
    "from Unit import Unit"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [],
   "source": [
    "class MMCIF_unit(Unit):\n",
    "    CONFIG = {\n",
    "        'MMCIF_OLD_FOLDER': ['C:/Users/Nature/Desktop/LiGroup/Filter_new_20190123/doc_in/'\n",
    "            ],\n",
    "        'MMCIF_FOLDER': 'C:/Users/Nature/Desktop/LiGroup/mmcif_files/',\n",
    "        'COMMON_COL': ['_pdbx_audit_revision_history.revision_date', '_exptl.method', '_em_3d_reconstruction.resolution', '_refine.ls_d_res_high'],\n",
    "        'ENTITY_COL': ['_entity.pdbx_mutation', '_entity.id'],\n",
    "        'TYPE_COL':['_entity_poly.entity_id', '_entity_poly.pdbx_strand_id', '_entity_poly.type'],\n",
    "        'SEQRES_COL':['_pdbx_poly_seq_scheme.pdb_strand_id',\n",
    "                 '_pdbx_poly_seq_scheme.mon_id','_pdbx_poly_seq_scheme.pdb_mon_id', '_pdbx_poly_seq_scheme.auth_mon_id',\n",
    "                 '_pdbx_poly_seq_scheme.ndb_seq_num', '_pdbx_poly_seq_scheme.pdb_seq_num',\n",
    "                 '_pdbx_poly_seq_scheme.auth_seq_num', '_pdbx_poly_seq_scheme.pdb_ins_code'],\n",
    "        'LIGAND_COL': [\n",
    "                 '_struct_conn.ptnr2_auth_asym_id','_struct_conn.ptnr2_auth_comp_id',\n",
    "                 '_struct_conn.ptnr2_auth_seq_id',\n",
    "                 '_struct_conn.conn_type_id',\n",
    "                 '_struct_conn.ptnr1_auth_asym_id', '_struct_conn.ptnr1_auth_comp_id',\n",
    "                 '_struct_conn.ptnr1_auth_seq_id'],\n",
    "        'LIGAND_LIST': [\n",
    "                        'ZN', 'MG', 'CA', 'FE', 'NA', 'MN', 'K', 'NI', 'CU', 'CO', 'CD', 'HG', 'PT', 'MO', 'BE', 'AL', 'BA',\n",
    "                        'RU', 'SR', 'V', 'CS', 'W', 'AU', 'YB', 'LI', 'GD', 'PB', 'Y', 'TL', 'IR', 'RB', 'SM', 'AG',\n",
    "                        'OS', 'PR', 'PD', 'EU', 'RH', 'RE', 'TB', 'TA', 'LU', 'HO', 'CR', 'GA', 'LA', 'SN', 'SB', 'CE',\n",
    "                        'ZR', 'ER', 'TH', 'TI', 'IN', 'HF', 'SC', 'DY', 'BI', 'PA', 'PU', 'AM', 'CM', 'CF', 'GE', 'NB', 'TC',\n",
    "                        'ND', 'PM', 'TM', 'PO', 'FR', 'RA', 'AC', 'NP', 'BK', 'ES', 'FM', 'MD', 'NO', 'LR', 'RF', 'DB', 'SG'],\n",
    "        'HEADERS': {'User-Agent': 'Mozilla/5.0 (Windows NT 10.0; Win64; x64) AppleWebKit/537.36 (KHTML, like Gecko) Chrome/64.0.3282.140 Safari/537.36 Edge/17.17134'},\n",
    "\n",
    "        }\n",
    "\n",
    "    pdb_path_li = []\n",
    "\n",
    "    def download_cif_file(pdbId, path):\n",
    "        url = 'https://files.rcsb.org/view/%s.cif' % pdbId\n",
    "        html = request.urlopen(url).read()\n",
    "        html = html.decode('utf-8')\n",
    "        with open(path, 'w') as fw:\n",
    "            fw.write(html)\n",
    "            time.sleep(2)\n",
    "\n",
    "    def get_mmcif_file_path(self, pdbId, download=False):\n",
    "        print('get_mmcif_file_path(): Working on [%s]' % pdbId)\n",
    "        new_path  = '%s%s.cif' % (self.CONFIG['MMCIF_FOLDER'], pdbId)\n",
    "\n",
    "        for path in self.CONFIG['MMCIF_OLD_FOLDER']:\n",
    "            old_path = '%s%s.cif' % (path, pdbId)\n",
    "            if os.path.exists(old_path):\n",
    "                return old_path\n",
    "\n",
    "        if os.path.exists(new_path):\n",
    "            return new_path\n",
    "        else:\n",
    "            if download:\n",
    "                MMCIF_unit.download_cif_file(pdbId, new_path)\n",
    "\n",
    "            return new_path\n",
    "\n",
    "    def check_mmcif_file(self, pdb_list):\n",
    "        def find_unDownloaded_file(pdbId):\n",
    "            for path in self.CONFIG['MMCIF_OLD_FOLDER']+[self.CONFIG['MMCIF_FOLDER']]:\n",
    "                old_path = '%s%s.cif' % (path, pdbId)\n",
    "                if os.path.exists(old_path):\n",
    "                    MMCIF_unit.pdb_path_li.append(old_path)\n",
    "                    return False\n",
    "            return True\n",
    "\n",
    "        unDownload = list(filter(find_unDownloaded_file, pdb_list))\n",
    "\n",
    "        @retry(stop_max_attempt_number=3, wait_fixed=1000)\n",
    "        def download_mmcif_file(pdbId):\n",
    "            path = '%s%s.cif' % (MMCIF_unit.CONFIG['MMCIF_FOLDER'], pdbId)\n",
    "            print('download_mmcif_file(): %s' % path)\n",
    "            url = 'https://files.rcsb.org/view/%s.cif' % pdbId\n",
    "            r = requests.get(url, headers=MMCIF_unit.CONFIG['HEADERS'])\n",
    "            with open(path, 'wb+') as fw:\n",
    "                fw.write(r.content)\n",
    "                time.sleep(2)\n",
    "                MMCIF_unit.pdb_path_li.append(path)\n",
    "\n",
    "        pool = Pool(processes=20)\n",
    "        pool.map(download_mmcif_file, unDownload)\n",
    "\n",
    "    def get_mmcif_info(info_key, info_key_nli, info_dict, path):\n",
    "        mmcif_dict = MMCIF2Dict(path)\n",
    "        for key in info_key:\n",
    "\n",
    "            if key in info_key_nli:\n",
    "                data = mmcif_dict.get(key,np.nan)\n",
    "                info_dict[key].append(data)\n",
    "            else:\n",
    "                data = mmcif_dict.get(key,[])\n",
    "                if isinstance(data, str):\n",
    "                    info_dict[key].append([data])\n",
    "                    ## data = data.split(',')\n",
    "                    # print(key)\n",
    "                # info_dict[key].append(list(filter(lambda x :x not in '?.', data)))\n",
    "                else:\n",
    "                    info_dict[key].append(data)\n",
    "\n",
    "    def get_data_from_mmcif(self, path_list, outputPath=False):\n",
    "        '''\n",
    "        {\n",
    "            '_pdbx_audit_revision_history.revision_date': ['initial_version_time', 'newest_version_time'], # sometimes not a list\n",
    "            '_entity.pdbx_mutation': ['mutation_num', 'mutation_content'], # sometimes not a list\n",
    "            '_entity.id': ['entity_id_aidMuta'], # sometimes not a list\n",
    "            ['_em_3d_reconstruction.resolution','_refine.ls_d_res_high']: ['resolution'], # not a lists\n",
    "            '_exptl.method': ['method'], # not a list\n",
    "        }\n",
    "\n",
    "        '''\n",
    "        info_dict = defaultdict(list)\n",
    "        for path in path_list:\n",
    "            if path[-3:] == 'cif':\n",
    "                print(path)\n",
    "                info_dict['pdb_id'].append(path[-8:-4])\n",
    "                MMCIF_unit.get_mmcif_info(\n",
    "                    MMCIF_unit.CONFIG['COMMON_COL'] + \\\n",
    "                    MMCIF_unit.CONFIG['ENTITY_COL'] + \\\n",
    "                    MMCIF_unit.CONFIG['TYPE_COL'] + \\\n",
    "                    MMCIF_unit.CONFIG['SEQRES_COL'] + \\\n",
    "                    MMCIF_unit.CONFIG['LIGAND_COL'],\n",
    "                    MMCIF_unit.CONFIG['COMMON_COL'][1:],\n",
    "                    info_dict,\n",
    "                    path)\n",
    "\n",
    "        # Deal with Residues in SEQRES_COL\n",
    "        resides_col_li = MMCIF_unit.CONFIG['SEQRES_COL'][1:4]\n",
    "        mtoTool = Unit.MultiToOne()\n",
    "        for i in range(len(info_dict[resides_col_li[0]])):\n",
    "            for resides_col in resides_col_li:\n",
    "                info_dict[resides_col][i] = ''.join([mtoTool.multi_letter_convert_to_one_letter(j) for j in info_dict[resides_col][i]])\n",
    "\n",
    "        get_index = lambda x, y, z: y[x[z]:x[z+1]] if len(x) != 1 and z+1 < len(x) else y[x[z]:]\n",
    "        # Deal with SEQRES_COL\n",
    "        pdbx_poly_key = MMCIF_unit.CONFIG['SEQRES_COL'][0]\n",
    "        for i in range(len(info_dict[pdbx_poly_key])):\n",
    "            strand_id_index = [0]\n",
    "            li = info_dict[pdbx_poly_key][i]\n",
    "            save_id = li[0]\n",
    "            strand_id_li = [save_id]\n",
    "            for j in range(len(li)):\n",
    "                if li[j] != save_id:\n",
    "                    save_id = li[j]\n",
    "                    strand_id_index.append(j)\n",
    "                    strand_id_li.append(save_id)\n",
    "            info_dict[pdbx_poly_key][i] = strand_id_li\n",
    "\n",
    "            for col in MMCIF_unit.CONFIG['SEQRES_COL'][1:4]:\n",
    "                info_dict[col][i] = [\n",
    "                    get_index(strand_id_index, info_dict[col][i], j)\n",
    "                    for j in range(len(strand_id_index))]\n",
    "\n",
    "            for col in MMCIF_unit.CONFIG['SEQRES_COL'][4:]:\n",
    "                info_dict[col][i] = [';'.join(\n",
    "                    get_index(strand_id_index, info_dict[col][i], j))\n",
    "                    for j in range(len(strand_id_index))]\n",
    "\n",
    "        # Deal with LIGAND_COL: Sort the data\n",
    "        ligand_col_list = MMCIF_unit.CONFIG['LIGAND_COL']\n",
    "        for i in range(len(info_dict[ligand_col_list[0]])):\n",
    "            ligand_col_tp = tuple(info_dict[col][i] for col in ligand_col_list)\n",
    "            ligand_col_zip_li = list(zip(*ligand_col_tp))\n",
    "            ligand_col_zip_li.sort()\n",
    "            for col_index in range(len(ligand_col_list)):\n",
    "                info_dict[ligand_col_list[col_index]][i] = [tp[col_index] for tp in ligand_col_zip_li]\n",
    "        # Deal with LIGAND_COL: Group the data\n",
    "        ligand_group_col = ligand_col_list[0]\n",
    "        new_ligand_col_li = ['%s_index'%ligand_group_col, '%s_li'%ligand_group_col]\n",
    "        self.new_ligand_col_li = new_ligand_col_li\n",
    "        for i in range(len(info_dict[ligand_group_col])):\n",
    "            strand_id_index = [0]\n",
    "            li = info_dict[ligand_group_col][i]\n",
    "            if not li:\n",
    "                info_dict[new_ligand_col_li[0]].append([])\n",
    "                info_dict[new_ligand_col_li[1]].append([])\n",
    "                continue\n",
    "            save_id = li[0]\n",
    "            strand_id_li = [save_id]\n",
    "            for j in range(len(li)):\n",
    "                if li[j] != save_id:\n",
    "                    save_id = li[j]\n",
    "                    strand_id_index.append(j)\n",
    "                    strand_id_li.append(save_id)\n",
    "            info_dict[new_ligand_col_li[1]].append(strand_id_li)\n",
    "            info_dict[new_ligand_col_li[0]].append(strand_id_index)\n",
    "\n",
    "            for col in ligand_col_list:\n",
    "                info_dict[col][i] = [\n",
    "                    get_index(strand_id_index, info_dict[col][i], j)\n",
    "                    for j in range(len(strand_id_index))]\n",
    "\n",
    "        df = pd.DataFrame(info_dict)\n",
    "        # Deal with the date of structure\n",
    "        df['initial_version_time'] = df.apply(lambda x: x[MMCIF_unit.CONFIG['COMMON_COL'][0]][0], axis=1)\n",
    "        df['newest_version_time'] = df.apply(lambda x: x[MMCIF_unit.CONFIG['COMMON_COL'][0]][-1], axis=1)\n",
    "        # Deal with the mutations\n",
    "        muta_count = lambda x: x.count(',')+1 if x!= '?' else 0\n",
    "        df['mutation_num'] = df.apply(lambda x: [muta_count(i) for i in x['_entity.pdbx_mutation']], axis=1)\n",
    "        # Deal with the resolution\n",
    "        df['resolution'] = df.apply(lambda x: x[MMCIF_unit.CONFIG['COMMON_COL'][3]] if x[MMCIF_unit.CONFIG['COMMON_COL'][1]]=='X-RAY DIFFRACTION' else x[MMCIF_unit.CONFIG['COMMON_COL'][2]], axis=1)\n",
    "        # Change the columns\n",
    "        df.rename(columns={MMCIF_unit.CONFIG['COMMON_COL'][1]:'method'},inplace=True)\n",
    "        df.drop(columns=[MMCIF_unit.CONFIG['COMMON_COL'][0],MMCIF_unit.CONFIG['COMMON_COL'][2],MMCIF_unit.CONFIG['COMMON_COL'][3]],inplace=True)\n",
    "\n",
    "        if os.path.exists(outputPath):\n",
    "            self.file_o(outputPath, df, mode='a+',header=False)\n",
    "        else:\n",
    "            self.file_o(outputPath, df)\n",
    "        return df\n",
    "\n",
    "    def handle_mmcif_df(self, dfrm, outputPath=False):\n",
    "        def get_sub_df(df, i, spe_col_li, common_col_li):\n",
    "            try:\n",
    "                a = pd.DataFrame({key: df.loc[i,key] for key in spe_col_li})\n",
    "            except Exception as e:\n",
    "                print(pdb, e)\n",
    "                a = pd.DataFrame({key: [df.loc[i,key]] for key in spe_col_li})\n",
    "\n",
    "            for common_col in common_col_li:\n",
    "                a[common_col] = df.loc[i, common_col]\n",
    "            return a\n",
    "\n",
    "        def sub_handle_df(df, spe_col_li, common_col_li):\n",
    "            df_li = []\n",
    "            for i in df.index:\n",
    "                df_li.append(get_sub_df(df, i, spe_col_li, common_col_li))\n",
    "            return pd.concat(df_li, ignore_index=True)\n",
    "\n",
    "        entity_poly_df = sub_handle_df(dfrm, MMCIF_unit.CONFIG['ENTITY_COL']+['mutation_num'], ['pdb_id'])\n",
    "        type_poly_df = sub_handle_df(dfrm, MMCIF_unit.CONFIG['TYPE_COL'], ['pdb_id'])\n",
    "        basic_df = sub_handle_df(dfrm, MMCIF_unit.CONFIG['SEQRES_COL'], ['pdb_id', 'method', 'initial_version_time', 'newest_version_time', 'resolution'])\n",
    "        ligand_df = sub_handle_df(dfrm, MMCIF_unit.CONFIG['LIGAND_COL']+self.new_ligand_col_li, ['pdb_id'])\n",
    "\n",
    "        new_type_poly_df = type_poly_df.drop(MMCIF_unit.CONFIG['TYPE_COL'][1], axis=1).join(type_poly_df[MMCIF_unit.CONFIG['TYPE_COL'][1]].str.split(',', expand=True).stack().reset_index(level=1, drop=True).rename('chain_id'))\n",
    "\n",
    "        entity_poly_df.rename(columns={'_entity.pdbx_mutation': 'mutation_content', '_entity.id': 'entity_id'}, inplace=True)\n",
    "        new_type_poly_df.rename(columns={'_entity_poly.entity_id': 'entity_id', '_entity_poly.type': 'protein_type'}, inplace=True)\n",
    "        basic_df.rename(columns={'_pdbx_poly_seq_scheme.pdb_strand_id':'chain_id'}, inplace=True)\n",
    "        ligand_df.rename(columns={self.new_ligand_col_li[1]:'chain_id'}, inplace=True)\n",
    "\n",
    "        df_1 = pd.merge(basic_df, ligand_df, how='left')\n",
    "        df_2 = pd.merge(new_type_poly_df, df_1, how='left')\n",
    "        df_3 = pd.merge(df_2, entity_poly_df, how='left')\n",
    "\n",
    "        if os.path.exists(outputPath):\n",
    "            self.file_o(outputPath, df_3, mode='a+',header=False)\n",
    "        else:\n",
    "            self.file_o(outputPath, df_3)\n",
    "        return df_3\n",
    "\n",
    "    def script_fun(self, pdb_list, outputPath_li, chunksize=100):\n",
    "        for i in range(0, len(pdb_list), chunksize):\n",
    "            chunk_li = pdb_list[i:i+chunksize]\n",
    "            MMCIF_unit.pdb_path_li = []\n",
    "            self.check_mmcif_file(chunk_li)\n",
    "            chunk_df = self.get_data_from_mmcif(MMCIF_unit.pdb_path_li, outputPath=outputPath_li[0])\n",
    "            self.handle_mmcif_df(chunk_df, outputPath=outputPath_li[1])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "C:\\Users\\Nature\\Desktop\\LiGroup\\Filter_new_20190123\\doc_in\\1a5r.cif\n",
      "C:\\Users\\Nature\\Desktop\\LiGroup\\Filter_new_20190123\\doc_in\\1abn.cif\n",
      "C:\\Users\\Nature\\Desktop\\LiGroup\\Filter_new_20190123\\doc_in\\1aii.cif\n",
      "C:\\Users\\Nature\\Desktop\\LiGroup\\Filter_new_20190123\\doc_in\\1aye.cif\n",
      "C:\\Users\\Nature\\Desktop\\LiGroup\\Filter_new_20190123\\doc_in\\1dfv.cif\n",
      "C:\\Users\\Nature\\Desktop\\LiGroup\\Filter_new_20190123\\doc_in\\2xyn.cif\n",
      "C:\\Users\\Nature\\Desktop\\LiGroup\\Filter_new_20190123\\doc_in\\3azm.cif\n",
      "C:\\Users\\Nature\\Desktop\\LiGroup\\Filter_new_20190123\\doc_in\\3g8t.cif\n",
      "C:\\Users\\Nature\\Desktop\\LiGroup\\Filter_new_20190123\\doc_in\\3g96.cif\n",
      "C:\\Users\\Nature\\Desktop\\LiGroup\\Filter_new_20190123\\doc_in\\5wts.cif\n",
      "C:\\Users\\Nature\\Desktop\\LiGroup\\Filter_new_20190123\\doc_in\\6d7s.cif\n",
      "C:\\Users\\Nature\\Desktop\\LiGroup\\Filter_new_20190123\\doc_in\\6iwg.cif\n",
      "C:\\Users\\Nature\\Desktop\\LiGroup\\Filter_new_20190123\\doc_in\\6oon.cif\n"
     ]
    }
   ],
   "source": [
    "route = 'C:\\\\Users\\\\Nature\\\\Desktop\\\\LiGroup\\\\Filter_new_20190123\\\\doc_in\\\\'\n",
    "file_list = os.listdir(route)\n",
    "file_p_list = [route+i for i in file_list]\n",
    "mmcif_demo = MMCIF_unit()\n",
    "# df = mmcif_demo.get_date_muta_resolution_method(file_p_list)\n",
    "df = mmcif_demo.get_data_from_mmcif(file_p_list)\n",
    "df_new = mmcif_demo.handle_mmcif_df(df)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
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       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>pdb_id</th>\n",
       "      <th>method</th>\n",
       "      <th>_entity.pdbx_mutation</th>\n",
       "      <th>_entity.id</th>\n",
       "      <th>_entity_poly.entity_id</th>\n",
       "      <th>_entity_poly.pdbx_strand_id</th>\n",
       "      <th>_entity_poly.type</th>\n",
       "      <th>_pdbx_poly_seq_scheme.pdb_strand_id</th>\n",
       "      <th>_pdbx_poly_seq_scheme.mon_id</th>\n",
       "      <th>_pdbx_poly_seq_scheme.pdb_mon_id</th>\n",
       "      <th>...</th>\n",
       "      <th>_struct_conn.conn_type_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_asym_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_comp_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_seq_id</th>\n",
       "      <th>_struct_conn.ptnr2_auth_asym_id_index</th>\n",
       "      <th>_struct_conn.ptnr2_auth_asym_id_li</th>\n",
       "      <th>initial_version_time</th>\n",
       "      <th>newest_version_time</th>\n",
       "      <th>mutation_num</th>\n",
       "      <th>resolution</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>1a5r</td>\n",
       "      <td>SOLUTION NMR</td>\n",
       "      <td>[?]</td>\n",
       "      <td>[1]</td>\n",
       "      <td>[1]</td>\n",
       "      <td>[A]</td>\n",
       "      <td>[polypeptide(L)]</td>\n",
       "      <td>[A]</td>\n",
       "      <td>[GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTH...</td>\n",
       "      <td>[GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTH...</td>\n",
       "      <td>...</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>1998-10-14</td>\n",
       "      <td>2011-07-13</td>\n",
       "      <td>[0]</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>1abn</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>[?, ?]</td>\n",
       "      <td>[1, 2]</td>\n",
       "      <td>[1]</td>\n",
       "      <td>[A]</td>\n",
       "      <td>[polypeptide(L)]</td>\n",
       "      <td>[A]</td>\n",
       "      <td>[ASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCA...</td>\n",
       "      <td>[?SRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCA...</td>\n",
       "      <td>...</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>1994-01-31</td>\n",
       "      <td>2017-11-29</td>\n",
       "      <td>[0, 0]</td>\n",
       "      <td>2.4</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>1aii</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>[?, ?, ?, ?, ?]</td>\n",
       "      <td>[1, 2, 3, 4, 5]</td>\n",
       "      <td>[1]</td>\n",
       "      <td>[A]</td>\n",
       "      <td>[polypeptide(L)]</td>\n",
       "      <td>[A]</td>\n",
       "      <td>[MASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISIL...</td>\n",
       "      <td>[?ASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISIL...</td>\n",
       "      <td>...</td>\n",
       "      <td>[[metalc, metalc, metalc, metalc, metalc, meta...</td>\n",
       "      <td>[[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A,...</td>\n",
       "      <td>[[CA, CA, CA, CA, CA, CA, CA, CA, CA, CA, CA, ...</td>\n",
       "      <td>[[353, 351, 351, 355, 357, 355, 355, 353, 353,...</td>\n",
       "      <td>[0]</td>\n",
       "      <td>[A]</td>\n",
       "      <td>1997-03-12</td>\n",
       "      <td>2011-07-13</td>\n",
       "      <td>[0, 0, 0, 0, 0]</td>\n",
       "      <td>1.95</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>1aye</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>[?, ?, ?]</td>\n",
       "      <td>[1, 2, 3]</td>\n",
       "      <td>[1]</td>\n",
       "      <td>[A]</td>\n",
       "      <td>[polypeptide(L)]</td>\n",
       "      <td>[A]</td>\n",
       "      <td>[LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGE...</td>\n",
       "      <td>[LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGE...</td>\n",
       "      <td>...</td>\n",
       "      <td>[[disulf, disulf, metalc, metalc, metalc, meta...</td>\n",
       "      <td>[[A, A, A, A, A, A, A]]</td>\n",
       "      <td>[[CYS, CYS, ZN, ZN, ZN, ZN, ZN]]</td>\n",
       "      <td>[[138, 210, 400, 400, 400, 400, 400]]</td>\n",
       "      <td>[0]</td>\n",
       "      <td>[A]</td>\n",
       "      <td>1999-01-13</td>\n",
       "      <td>2011-07-13</td>\n",
       "      <td>[0, 0, 0]</td>\n",
       "      <td>1.8</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>1dfv</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>[?, ?, ?, ?, ?]</td>\n",
       "      <td>[1, 2, 3, 4, 5]</td>\n",
       "      <td>[1]</td>\n",
       "      <td>[A,B]</td>\n",
       "      <td>[polypeptide(L)]</td>\n",
       "      <td>[A, B]</td>\n",
       "      <td>[QDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILRED...</td>\n",
       "      <td>[????SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILRED...</td>\n",
       "      <td>...</td>\n",
       "      <td>[[disulf, covale, covale], [disulf, covale]]</td>\n",
       "      <td>[[A, A, A], [B, B]]</td>\n",
       "      <td>[[CYS, ASN, NAG], [CYS, ASN]]</td>\n",
       "      <td>[[76, 65, 179], [76, 65]]</td>\n",
       "      <td>[0, 3]</td>\n",
       "      <td>[A, B]</td>\n",
       "      <td>2000-03-06</td>\n",
       "      <td>2011-11-16</td>\n",
       "      <td>[0, 0, 0, 0, 0]</td>\n",
       "      <td>2.60</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>2xyn</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>[?, ?, ?, ?, ?]</td>\n",
       "      <td>[1, 2, 3, 4, 5]</td>\n",
       "      <td>[1]</td>\n",
       "      <td>[A,B,C]</td>\n",
       "      <td>[polypeptide(L)]</td>\n",
       "      <td>[A, B, C]</td>\n",
       "      <td>[MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQY...</td>\n",
       "      <td>[?????????????????????????KWEMERTDITMKHKLGGGQY...</td>\n",
       "      <td>...</td>\n",
       "      <td>[[metalc, metalc, metalc, metalc, metalc]]</td>\n",
       "      <td>[[A, A, A, A, A]]</td>\n",
       "      <td>[[NA, NA, NA, NA, NA]]</td>\n",
       "      <td>[[549, 1, 549, 1, 1]]</td>\n",
       "      <td>[0]</td>\n",
       "      <td>[A]</td>\n",
       "      <td>2010-12-01</td>\n",
       "      <td>2019-04-03</td>\n",
       "      <td>[0, 0, 0, 0, 0]</td>\n",
       "      <td>2.81</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>3azm</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>[?, K79Q, ?, ?, ?, ?, ?]</td>\n",
       "      <td>[1, 2, 3, 4, 5, 6, 7]</td>\n",
       "      <td>[1, 2, 3, 4, 5]</td>\n",
       "      <td>[A,E, B,F, C,G, D,H, I,J]</td>\n",
       "      <td>[polypeptide(L), polypeptide(L), polypeptide(L...</td>\n",
       "      <td>[A, B, C, D, E, F, G, H, I, J]</td>\n",
       "      <td>[GSHMARTKQTARKSTGGKAPRKQLATKAARKSAPATGGVKKPHRY...</td>\n",
       "      <td>[?????????????????????????????????????????PHRY...</td>\n",
       "      <td>...</td>\n",
       "      <td>[[metalc], [metalc, metalc, metalc, metalc], [...</td>\n",
       "      <td>[[E], [I, I, I, I], [I, I, I, I, I, I, I, I, I...</td>\n",
       "      <td>[[ASP], [DG, DG, DG, DA], [DT, DT, DT, DT, DT,...</td>\n",
       "      <td>[[77], [100, 100, 121, 133], [143, 143, 142, 1...</td>\n",
       "      <td>[0, 1, 5]</td>\n",
       "      <td>[E, I, J]</td>\n",
       "      <td>2011-09-21</td>\n",
       "      <td>2012-08-15</td>\n",
       "      <td>[0, 1, 0, 0, 0, 0, 0]</td>\n",
       "      <td>2.89</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>3g8t</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>[Y31H,Q36R, ?, ?, ?, ?, ?]</td>\n",
       "      <td>[1, 2, 3, 4, 5, 6]</td>\n",
       "      <td>[1, 2, 3]</td>\n",
       "      <td>[A,B,C,D, E,F,G,H, P,Q,R,S]</td>\n",
       "      <td>[polypeptide(L), polyribonucleotide, polyribon...</td>\n",
       "      <td>[A, E, P, B, F, Q, C, G, R, D, H, S]</td>\n",
       "      <td>[MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILV...</td>\n",
       "      <td>[??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILV...</td>\n",
       "      <td>...</td>\n",
       "      <td>[[covale, covale], [hydrog, hydrog, covale, co...</td>\n",
       "      <td>[[E, E], [E, P, F, F, F], [G, G], [G, R, H, G,...</td>\n",
       "      <td>[[A, A2M], [C, G, A, A2M, C], [A, A2M], [C, G,...</td>\n",
       "      <td>[[-1, 0], [2, 56, -1, 0, 2], [-1, 0], [2, 56, ...</td>\n",
       "      <td>[0, 2, 7, 9, 14, 138, 274, 403]</td>\n",
       "      <td>[E, F, G, H, P, Q, R, S]</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>[2, 0, 0, 0, 0, 0]</td>\n",
       "      <td>3.000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>3g96</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>[Y31H,Q36R, ?, ?, ?, ?, ?]</td>\n",
       "      <td>[1, 2, 3, 4, 5, 6]</td>\n",
       "      <td>[1, 2, 3]</td>\n",
       "      <td>[A,B,C,D, E,F,G,H, P,Q,R,S]</td>\n",
       "      <td>[polypeptide(L), polyribonucleotide, polyribon...</td>\n",
       "      <td>[A, E, P, B, F, Q, C, G, R, D, H, S]</td>\n",
       "      <td>[MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILV...</td>\n",
       "      <td>[??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILV...</td>\n",
       "      <td>...</td>\n",
       "      <td>[[covale, covale], [hydrog, covale, covale, me...</td>\n",
       "      <td>[[E, E], [E, F, F, Q], [G, G, G], [H, G, H], [...</td>\n",
       "      <td>[[A, A2M], [C, A, A2M, MG], [A, A2M, C], [A, A...</td>\n",
       "      <td>[[-1, 0], [2, -1, 0, 2], [-1, 0, 2], [-1, -1, ...</td>\n",
       "      <td>[0, 2, 6, 9, 12, 138, 284, 430]</td>\n",
       "      <td>[E, F, G, H, P, Q, R, S]</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>[2, 0, 0, 0, 0, 0]</td>\n",
       "      <td>3.010</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>5wts</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>[?, ?, ?, ?, ?, ?]</td>\n",
       "      <td>[1, 2, 3, 4, 5, 6]</td>\n",
       "      <td>[1, 2]</td>\n",
       "      <td>[A, B]</td>\n",
       "      <td>[polypeptide(L), polypeptide(L)]</td>\n",
       "      <td>[A, B]</td>\n",
       "      <td>[MSKGEELFTGVVPILVELDGDVNGHKFSVRGEGEGDATNGKLTLK...</td>\n",
       "      <td>[??KGEELFTGVVPILVELDGDVNGHKFSVRGEGEGDATNGKLTLK...</td>\n",
       "      <td>...</td>\n",
       "      <td>[[covale, covale]]</td>\n",
       "      <td>[[A, A]]</td>\n",
       "      <td>[[LEU, CRO]]</td>\n",
       "      <td>[[64, 66]]</td>\n",
       "      <td>[0]</td>\n",
       "      <td>[A]</td>\n",
       "      <td>2017-12-20</td>\n",
       "      <td>2018-09-12</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0]</td>\n",
       "      <td>3.004</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>6d7s</td>\n",
       "      <td>ELECTRON MICROSCOPY</td>\n",
       "      <td>[Y467A]</td>\n",
       "      <td>[1]</td>\n",
       "      <td>[1]</td>\n",
       "      <td>[A,B,C,D]</td>\n",
       "      <td>[polypeptide(L)]</td>\n",
       "      <td>[A, B, C, D]</td>\n",
       "      <td>[MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIW...</td>\n",
       "      <td>[???????????????????????????SWAQSRDEQNLLQQKRIW...</td>\n",
       "      <td>...</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>2018-07-18</td>\n",
       "      <td>2018-07-18</td>\n",
       "      <td>[1]</td>\n",
       "      <td>4.34</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>6iwg</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>[R128E,K177E,D223E,K264E, ?, ?, ?, ?, ?, ?]</td>\n",
       "      <td>[1, 2, 3, 4, 5, 6, 7]</td>\n",
       "      <td>[1, 2, 3]</td>\n",
       "      <td>[A, B, C]</td>\n",
       "      <td>[polypeptide(L), polypeptide(L), polypeptide(L)]</td>\n",
       "      <td>[A, B, C]</td>\n",
       "      <td>[GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRT...</td>\n",
       "      <td>[GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRT...</td>\n",
       "      <td>...</td>\n",
       "      <td>[[disulf, disulf, metalc, metalc, metalc, meta...</td>\n",
       "      <td>[[A, A, A, A, A, A, A, A, A, A, A, A, A, A, B,...</td>\n",
       "      <td>[[CYS, CYS, NA, NA, NA, NA, NA, NA, NA, GLN, H...</td>\n",
       "      <td>[[101, 203, 302, 302, 303, 303, 301, 301, 302,...</td>\n",
       "      <td>[0, 17, 25]</td>\n",
       "      <td>[A, B, C]</td>\n",
       "      <td>2019-08-14</td>\n",
       "      <td>2019-08-14</td>\n",
       "      <td>[4, 0, 0, 0, 0, 0, 0]</td>\n",
       "      <td>1.80</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>6oon</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>[?, ?, ?]</td>\n",
       "      <td>[1, 2, 3]</td>\n",
       "      <td>[1, 2]</td>\n",
       "      <td>[A, B]</td>\n",
       "      <td>[polypeptide(L), polyribonucleotide]</td>\n",
       "      <td>[A, B]</td>\n",
       "      <td>[GSMEALGPGPPASLFQPPRRPGLGTVGKPIRLLANHFQVQIPKID...</td>\n",
       "      <td>[?????????????LFQPPRRPGLGTVGKPIRLLANHFQVQIPKID...</td>\n",
       "      <td>...</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>2019-07-31</td>\n",
       "      <td>2019-07-31</td>\n",
       "      <td>[0, 0, 0]</td>\n",
       "      <td>1.900</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>13 rows × 28 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "   pdb_id               method                        _entity.pdbx_mutation  \\\n",
       "0    1a5r         SOLUTION NMR                                          [?]   \n",
       "1    1abn    X-RAY DIFFRACTION                                       [?, ?]   \n",
       "2    1aii    X-RAY DIFFRACTION                              [?, ?, ?, ?, ?]   \n",
       "3    1aye    X-RAY DIFFRACTION                                    [?, ?, ?]   \n",
       "4    1dfv    X-RAY DIFFRACTION                              [?, ?, ?, ?, ?]   \n",
       "5    2xyn    X-RAY DIFFRACTION                              [?, ?, ?, ?, ?]   \n",
       "6    3azm    X-RAY DIFFRACTION                     [?, K79Q, ?, ?, ?, ?, ?]   \n",
       "7    3g8t    X-RAY DIFFRACTION                   [Y31H,Q36R, ?, ?, ?, ?, ?]   \n",
       "8    3g96    X-RAY DIFFRACTION                   [Y31H,Q36R, ?, ?, ?, ?, ?]   \n",
       "9    5wts    X-RAY DIFFRACTION                           [?, ?, ?, ?, ?, ?]   \n",
       "10   6d7s  ELECTRON MICROSCOPY                                      [Y467A]   \n",
       "11   6iwg    X-RAY DIFFRACTION  [R128E,K177E,D223E,K264E, ?, ?, ?, ?, ?, ?]   \n",
       "12   6oon    X-RAY DIFFRACTION                                    [?, ?, ?]   \n",
       "\n",
       "               _entity.id _entity_poly.entity_id  _entity_poly.pdbx_strand_id  \\\n",
       "0                     [1]                    [1]                          [A]   \n",
       "1                  [1, 2]                    [1]                          [A]   \n",
       "2         [1, 2, 3, 4, 5]                    [1]                          [A]   \n",
       "3               [1, 2, 3]                    [1]                          [A]   \n",
       "4         [1, 2, 3, 4, 5]                    [1]                        [A,B]   \n",
       "5         [1, 2, 3, 4, 5]                    [1]                      [A,B,C]   \n",
       "6   [1, 2, 3, 4, 5, 6, 7]        [1, 2, 3, 4, 5]    [A,E, B,F, C,G, D,H, I,J]   \n",
       "7      [1, 2, 3, 4, 5, 6]              [1, 2, 3]  [A,B,C,D, E,F,G,H, P,Q,R,S]   \n",
       "8      [1, 2, 3, 4, 5, 6]              [1, 2, 3]  [A,B,C,D, E,F,G,H, P,Q,R,S]   \n",
       "9      [1, 2, 3, 4, 5, 6]                 [1, 2]                       [A, B]   \n",
       "10                    [1]                    [1]                    [A,B,C,D]   \n",
       "11  [1, 2, 3, 4, 5, 6, 7]              [1, 2, 3]                    [A, B, C]   \n",
       "12              [1, 2, 3]                 [1, 2]                       [A, B]   \n",
       "\n",
       "                                    _entity_poly.type  \\\n",
       "0                                    [polypeptide(L)]   \n",
       "1                                    [polypeptide(L)]   \n",
       "2                                    [polypeptide(L)]   \n",
       "3                                    [polypeptide(L)]   \n",
       "4                                    [polypeptide(L)]   \n",
       "5                                    [polypeptide(L)]   \n",
       "6   [polypeptide(L), polypeptide(L), polypeptide(L...   \n",
       "7   [polypeptide(L), polyribonucleotide, polyribon...   \n",
       "8   [polypeptide(L), polyribonucleotide, polyribon...   \n",
       "9                    [polypeptide(L), polypeptide(L)]   \n",
       "10                                   [polypeptide(L)]   \n",
       "11   [polypeptide(L), polypeptide(L), polypeptide(L)]   \n",
       "12               [polypeptide(L), polyribonucleotide]   \n",
       "\n",
       "     _pdbx_poly_seq_scheme.pdb_strand_id  \\\n",
       "0                                    [A]   \n",
       "1                                    [A]   \n",
       "2                                    [A]   \n",
       "3                                    [A]   \n",
       "4                                 [A, B]   \n",
       "5                              [A, B, C]   \n",
       "6         [A, B, C, D, E, F, G, H, I, J]   \n",
       "7   [A, E, P, B, F, Q, C, G, R, D, H, S]   \n",
       "8   [A, E, P, B, F, Q, C, G, R, D, H, S]   \n",
       "9                                 [A, B]   \n",
       "10                          [A, B, C, D]   \n",
       "11                             [A, B, C]   \n",
       "12                                [A, B]   \n",
       "\n",
       "                         _pdbx_poly_seq_scheme.mon_id  \\\n",
       "0   [GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTH...   \n",
       "1   [ASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCA...   \n",
       "2   [MASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISIL...   \n",
       "3   [LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGE...   \n",
       "4   [QDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILRED...   \n",
       "5   [MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQY...   \n",
       "6   [GSHMARTKQTARKSTGGKAPRKQLATKAARKSAPATGGVKKPHRY...   \n",
       "7   [MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILV...   \n",
       "8   [MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILV...   \n",
       "9   [MSKGEELFTGVVPILVELDGDVNGHKFSVRGEGEGDATNGKLTLK...   \n",
       "10  [MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIW...   \n",
       "11  [GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRT...   \n",
       "12  [GSMEALGPGPPASLFQPPRRPGLGTVGKPIRLLANHFQVQIPKID...   \n",
       "\n",
       "                     _pdbx_poly_seq_scheme.pdb_mon_id  ...  \\\n",
       "0   [GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTH...  ...   \n",
       "1   [?SRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCA...  ...   \n",
       "2   [?ASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISIL...  ...   \n",
       "3   [LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGE...  ...   \n",
       "4   [????SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILRED...  ...   \n",
       "5   [?????????????????????????KWEMERTDITMKHKLGGGQY...  ...   \n",
       "6   [?????????????????????????????????????????PHRY...  ...   \n",
       "7   [??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILV...  ...   \n",
       "8   [??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILV...  ...   \n",
       "9   [??KGEELFTGVVPILVELDGDVNGHKFSVRGEGEGDATNGKLTLK...  ...   \n",
       "10  [???????????????????????????SWAQSRDEQNLLQQKRIW...  ...   \n",
       "11  [GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRT...  ...   \n",
       "12  [?????????????LFQPPRRPGLGTVGKPIRLLANHFQVQIPKID...  ...   \n",
       "\n",
       "                            _struct_conn.conn_type_id  \\\n",
       "0                                                  []   \n",
       "1                                                  []   \n",
       "2   [[metalc, metalc, metalc, metalc, metalc, meta...   \n",
       "3   [[disulf, disulf, metalc, metalc, metalc, meta...   \n",
       "4        [[disulf, covale, covale], [disulf, covale]]   \n",
       "5          [[metalc, metalc, metalc, metalc, metalc]]   \n",
       "6   [[metalc], [metalc, metalc, metalc, metalc], [...   \n",
       "7   [[covale, covale], [hydrog, hydrog, covale, co...   \n",
       "8   [[covale, covale], [hydrog, covale, covale, me...   \n",
       "9                                  [[covale, covale]]   \n",
       "10                                                 []   \n",
       "11  [[disulf, disulf, metalc, metalc, metalc, meta...   \n",
       "12                                                 []   \n",
       "\n",
       "                      _struct_conn.ptnr1_auth_asym_id  \\\n",
       "0                                                  []   \n",
       "1                                                  []   \n",
       "2   [[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A,...   \n",
       "3                             [[A, A, A, A, A, A, A]]   \n",
       "4                                 [[A, A, A], [B, B]]   \n",
       "5                                   [[A, A, A, A, A]]   \n",
       "6   [[E], [I, I, I, I], [I, I, I, I, I, I, I, I, I...   \n",
       "7   [[E, E], [E, P, F, F, F], [G, G], [G, R, H, G,...   \n",
       "8   [[E, E], [E, F, F, Q], [G, G, G], [H, G, H], [...   \n",
       "9                                            [[A, A]]   \n",
       "10                                                 []   \n",
       "11  [[A, A, A, A, A, A, A, A, A, A, A, A, A, A, B,...   \n",
       "12                                                 []   \n",
       "\n",
       "                      _struct_conn.ptnr1_auth_comp_id  \\\n",
       "0                                                  []   \n",
       "1                                                  []   \n",
       "2   [[CA, CA, CA, CA, CA, CA, CA, CA, CA, CA, CA, ...   \n",
       "3                    [[CYS, CYS, ZN, ZN, ZN, ZN, ZN]]   \n",
       "4                       [[CYS, ASN, NAG], [CYS, ASN]]   \n",
       "5                              [[NA, NA, NA, NA, NA]]   \n",
       "6   [[ASP], [DG, DG, DG, DA], [DT, DT, DT, DT, DT,...   \n",
       "7   [[A, A2M], [C, G, A, A2M, C], [A, A2M], [C, G,...   \n",
       "8   [[A, A2M], [C, A, A2M, MG], [A, A2M, C], [A, A...   \n",
       "9                                        [[LEU, CRO]]   \n",
       "10                                                 []   \n",
       "11  [[CYS, CYS, NA, NA, NA, NA, NA, NA, NA, GLN, H...   \n",
       "12                                                 []   \n",
       "\n",
       "                       _struct_conn.ptnr1_auth_seq_id  \\\n",
       "0                                                  []   \n",
       "1                                                  []   \n",
       "2   [[353, 351, 351, 355, 357, 355, 355, 353, 353,...   \n",
       "3               [[138, 210, 400, 400, 400, 400, 400]]   \n",
       "4                           [[76, 65, 179], [76, 65]]   \n",
       "5                               [[549, 1, 549, 1, 1]]   \n",
       "6   [[77], [100, 100, 121, 133], [143, 143, 142, 1...   \n",
       "7   [[-1, 0], [2, 56, -1, 0, 2], [-1, 0], [2, 56, ...   \n",
       "8   [[-1, 0], [2, -1, 0, 2], [-1, 0, 2], [-1, -1, ...   \n",
       "9                                          [[64, 66]]   \n",
       "10                                                 []   \n",
       "11  [[101, 203, 302, 302, 303, 303, 301, 301, 302,...   \n",
       "12                                                 []   \n",
       "\n",
       "   _struct_conn.ptnr2_auth_asym_id_index _struct_conn.ptnr2_auth_asym_id_li  \\\n",
       "0                                     []                                 []   \n",
       "1                                     []                                 []   \n",
       "2                                    [0]                                [A]   \n",
       "3                                    [0]                                [A]   \n",
       "4                                 [0, 3]                             [A, B]   \n",
       "5                                    [0]                                [A]   \n",
       "6                              [0, 1, 5]                          [E, I, J]   \n",
       "7        [0, 2, 7, 9, 14, 138, 274, 403]           [E, F, G, H, P, Q, R, S]   \n",
       "8        [0, 2, 6, 9, 12, 138, 284, 430]           [E, F, G, H, P, Q, R, S]   \n",
       "9                                    [0]                                [A]   \n",
       "10                                    []                                 []   \n",
       "11                           [0, 17, 25]                          [A, B, C]   \n",
       "12                                    []                                 []   \n",
       "\n",
       "   initial_version_time newest_version_time           mutation_num resolution  \n",
       "0            1998-10-14          2011-07-13                    [0]        NaN  \n",
       "1            1994-01-31          2017-11-29                 [0, 0]        2.4  \n",
       "2            1997-03-12          2011-07-13        [0, 0, 0, 0, 0]       1.95  \n",
       "3            1999-01-13          2011-07-13              [0, 0, 0]        1.8  \n",
       "4            2000-03-06          2011-11-16        [0, 0, 0, 0, 0]       2.60  \n",
       "5            2010-12-01          2019-04-03        [0, 0, 0, 0, 0]       2.81  \n",
       "6            2011-09-21          2012-08-15  [0, 1, 0, 0, 0, 0, 0]       2.89  \n",
       "7            2009-11-03          2018-04-11     [2, 0, 0, 0, 0, 0]      3.000  \n",
       "8            2009-11-03          2018-04-11     [2, 0, 0, 0, 0, 0]      3.010  \n",
       "9            2017-12-20          2018-09-12     [0, 0, 0, 0, 0, 0]      3.004  \n",
       "10           2018-07-18          2018-07-18                    [1]       4.34  \n",
       "11           2019-08-14          2019-08-14  [4, 0, 0, 0, 0, 0, 0]       1.80  \n",
       "12           2019-07-31          2019-07-31              [0, 0, 0]      1.900  \n",
       "\n",
       "[13 rows x 28 columns]"
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>entity_id</th>\n",
       "      <th>protein_type</th>\n",
       "      <th>pdb_id</th>\n",
       "      <th>chain_id</th>\n",
       "      <th>_pdbx_poly_seq_scheme.mon_id</th>\n",
       "      <th>_pdbx_poly_seq_scheme.pdb_mon_id</th>\n",
       "      <th>_pdbx_poly_seq_scheme.auth_mon_id</th>\n",
       "      <th>_pdbx_poly_seq_scheme.ndb_seq_num</th>\n",
       "      <th>_pdbx_poly_seq_scheme.pdb_seq_num</th>\n",
       "      <th>_pdbx_poly_seq_scheme.auth_seq_num</th>\n",
       "      <th>...</th>\n",
       "      <th>_struct_conn.ptnr2_auth_asym_id</th>\n",
       "      <th>_struct_conn.ptnr2_auth_comp_id</th>\n",
       "      <th>_struct_conn.ptnr2_auth_seq_id</th>\n",
       "      <th>_struct_conn.conn_type_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_asym_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_comp_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_seq_id</th>\n",
       "      <th>_struct_conn.ptnr2_auth_asym_id_index</th>\n",
       "      <th>mutation_content</th>\n",
       "      <th>mutation_num</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>1a5r</td>\n",
       "      <td>A</td>\n",
       "      <td>GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHL...</td>\n",
       "      <td>GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHL...</td>\n",
       "      <td>GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHL...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17...</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>1abn</td>\n",
       "      <td>A</td>\n",
       "      <td>ASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAH...</td>\n",
       "      <td>?SRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAH...</td>\n",
       "      <td>?SRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAH...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>1aii</td>\n",
       "      <td>A</td>\n",
       "      <td>MASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISILT...</td>\n",
       "      <td>?ASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISILT...</td>\n",
       "      <td>?ASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISILT...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;...</td>\n",
       "      <td>?;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;...</td>\n",
       "      <td>...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[ARG, ASP, ASP, ETA, GLU, GLU, GLU, GLU, GLU, ...</td>\n",
       "      <td>[190, 76, 76, 360, 148, 195, 195, 232, 232, 23...</td>\n",
       "      <td>[metalc, metalc, metalc, metalc, metalc, metal...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[CA, CA, CA, CA, CA, CA, CA, CA, CA, CA, CA, C...</td>\n",
       "      <td>[353, 351, 351, 355, 357, 355, 355, 353, 353, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>1aye</td>\n",
       "      <td>A</td>\n",
       "      <td>LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGET...</td>\n",
       "      <td>LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGET...</td>\n",
       "      <td>LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGET...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;2...</td>\n",
       "      <td>4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;2...</td>\n",
       "      <td>...</td>\n",
       "      <td>[A, A, A, A, A, A, A]</td>\n",
       "      <td>[CYS, CYS, GLU, GLU, HIS, HIS, HOH]</td>\n",
       "      <td>[161, 244, 72, 72, 196, 69, 401]</td>\n",
       "      <td>[disulf, disulf, metalc, metalc, metalc, metal...</td>\n",
       "      <td>[A, A, A, A, A, A, A]</td>\n",
       "      <td>[CYS, CYS, ZN, ZN, ZN, ZN, ZN]</td>\n",
       "      <td>[138, 210, 400, 400, 400, 400, 400]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>1dfv</td>\n",
       "      <td>A</td>\n",
       "      <td>QDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...</td>\n",
       "      <td>????SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...</td>\n",
       "      <td>????SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[A, A, A]</td>\n",
       "      <td>[CYS, NAG, NAG]</td>\n",
       "      <td>[175, 179, 180]</td>\n",
       "      <td>[disulf, covale, covale]</td>\n",
       "      <td>[A, A, A]</td>\n",
       "      <td>[CYS, ASN, NAG]</td>\n",
       "      <td>[76, 65, 179]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>1dfv</td>\n",
       "      <td>B</td>\n",
       "      <td>QDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...</td>\n",
       "      <td>???TSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...</td>\n",
       "      <td>???TSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[B, B]</td>\n",
       "      <td>[CYS, NDG]</td>\n",
       "      <td>[175, 178]</td>\n",
       "      <td>[disulf, covale]</td>\n",
       "      <td>[B, B]</td>\n",
       "      <td>[CYS, ASN]</td>\n",
       "      <td>[76, 65]</td>\n",
       "      <td>3.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>2xyn</td>\n",
       "      <td>A</td>\n",
       "      <td>MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>?????????????????????????KWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>?????????????????????????KWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>255;256;257;258;259;260;261;262;263;264;265;26...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>[A, A, A, A, A]</td>\n",
       "      <td>[ARG, HOH, HOH, ILE, THR]</td>\n",
       "      <td>[519, 2004, 2006, 449, 452]</td>\n",
       "      <td>[metalc, metalc, metalc, metalc, metalc]</td>\n",
       "      <td>[A, A, A, A, A]</td>\n",
       "      <td>[NA, NA, NA, NA, NA]</td>\n",
       "      <td>[549, 1, 549, 1, 1]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>2xyn</td>\n",
       "      <td>B</td>\n",
       "      <td>MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>?????????????????????????KWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>?????????????????????????KWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>255;256;257;258;259;260;261;262;263;264;265;26...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>2xyn</td>\n",
       "      <td>C</td>\n",
       "      <td>MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>??????????????????????????WEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>??????????????????????????WEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>255;256;257;258;259;260;261;262;263;264;265;26...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>A</td>\n",
       "      <td>GSHMARTKQTARKSTGGKAPRKQLATKAARKSAPATGGVKKPHRYR...</td>\n",
       "      <td>?????????????????????????????????????????PHRYR...</td>\n",
       "      <td>?????????????????????????????????????????PHRYR...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>E</td>\n",
       "      <td>GSHMARTKQTARKSTGGKAPRKQLATKAARKSAPATGGVKKPHRYR...</td>\n",
       "      <td>????????????????????????????????????????KPHRYR...</td>\n",
       "      <td>????????????????????????????????????????KPHRYR...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>[E]</td>\n",
       "      <td>[MN]</td>\n",
       "      <td>[1001]</td>\n",
       "      <td>[metalc]</td>\n",
       "      <td>[E]</td>\n",
       "      <td>[ASP]</td>\n",
       "      <td>[77]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>2</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>B</td>\n",
       "      <td>GSHMSGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGG...</td>\n",
       "      <td>????????????????????????????NIQGITKPAIRRLARRGG...</td>\n",
       "      <td>????????????????????????????NIQGITKPAIRRLARRGG...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>K79Q</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>2</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>F</td>\n",
       "      <td>GSHMSGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGG...</td>\n",
       "      <td>??????????????????????RKVLRDNIQGITKPAIRRLARRGG...</td>\n",
       "      <td>??????????????????????RKVLRDNIQGITKPAIRRLARRGG...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;19...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>K79Q</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>3</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>C</td>\n",
       "      <td>GSHMSGRGKQGGKARAKAKTRSSRAGLQFPVGRVHRLLRKGNYSER...</td>\n",
       "      <td>????????????????KAKTRSSRAGLQFPVGRVHRLLRKGNYSER...</td>\n",
       "      <td>????????????????KAKTRSSRAGLQFPVGRVHRLLRKGNYSER...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;13;14;15;16;17...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>3</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>G</td>\n",
       "      <td>GSHMSGRGKQGGKARAKAKTRSSRAGLQFPVGRVHRLLRKGNYSER...</td>\n",
       "      <td>??????????????????KTRSSRAGLQFPVGRVHRLLRKGNYSER...</td>\n",
       "      <td>??????????????????KTRSSRAGLQFPVGRVHRLLRKGNYSER...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;15;16;17;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>4</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>D</td>\n",
       "      <td>GSHMPEPAKSAPAPKKGSKKAVTKAQKKDGKKRKRSRKESYSIYVY...</td>\n",
       "      <td>?????????????????????????????????KRSRKESYSIYVY...</td>\n",
       "      <td>?????????????????????????????????KRSRKESYSIYVY...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>4</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>H</td>\n",
       "      <td>GSHMPEPAKSAPAPKKGSKKAVTKAQKKDGKKRKRSRKESYSIYVY...</td>\n",
       "      <td>????????????????????????????????????RKESYSIYVY...</td>\n",
       "      <td>????????????????????????????????????RKESYSIYVY...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>5</td>\n",
       "      <td>polydeoxyribonucleotide</td>\n",
       "      <td>3azm</td>\n",
       "      <td>I</td>\n",
       "      <td>DADTDCDADADTDADTDCDCDADCDCDTDGDCDADGDADTDTDCDT...</td>\n",
       "      <td>DADTDCDADADTDADTDCDCDADCDCDTDGDCDADGDADTDTDCDT...</td>\n",
       "      <td>DADTDCDADADTDADTDCDCDADCDCDTDGDCDADGDADTDTDCDT...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[I, I, I, I]</td>\n",
       "      <td>[MN, MN, MN, MN]</td>\n",
       "      <td>[1001, 1001, 1002, 1003]</td>\n",
       "      <td>[metalc, metalc, metalc, metalc]</td>\n",
       "      <td>[I, I, I, I]</td>\n",
       "      <td>[DG, DG, DG, DA]</td>\n",
       "      <td>[100, 100, 121, 133]</td>\n",
       "      <td>1.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18</th>\n",
       "      <td>5</td>\n",
       "      <td>polydeoxyribonucleotide</td>\n",
       "      <td>3azm</td>\n",
       "      <td>J</td>\n",
       "      <td>DTDTDCDADGDCDTDGDADADCDADTDGDCDCDTDTDTDTDGDADT...</td>\n",
       "      <td>DTDTDCDADGDCDTDGDADADCDADTDGDCDCDTDTDTDTDGDADT...</td>\n",
       "      <td>DTDTDCDADGDCDTDGDADADCDADTDGDCDCDTDTDTDTDGDADT...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>147;148;149;150;151;152;153;154;155;156;157;15...</td>\n",
       "      <td>?;148;149;150;151;152;153;154;155;156;157;158;...</td>\n",
       "      <td>...</td>\n",
       "      <td>[J, J, J, J, J, J, J, J, J, J, J, J, J, J, J, ...</td>\n",
       "      <td>[DA, DA, DA, DA, DA, DA, DA, DA, DA, DA, DA, D...</td>\n",
       "      <td>[150, 150, 151, 151, 153, 153, 157, 157, 163, ...</td>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[I, I, I, I, I, I, I, I, I, I, I, I, I, I, I, ...</td>\n",
       "      <td>[DT, DT, DT, DT, DT, DT, DT, DT, DC, DT, DT, D...</td>\n",
       "      <td>[143, 143, 142, 142, 140, 140, 136, 136, 129, ...</td>\n",
       "      <td>5.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>19</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>A</td>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y31H,Q36R</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>20</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>B</td>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y31H,Q36R</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>21</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>C</td>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y31H,Q36R</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>22</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>D</td>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y31H,Q36R</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>23</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>E</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>...</td>\n",
       "      <td>[E, E]</td>\n",
       "      <td>[A2M, G]</td>\n",
       "      <td>[0, 1]</td>\n",
       "      <td>[covale, covale]</td>\n",
       "      <td>[E, E]</td>\n",
       "      <td>[A, A2M]</td>\n",
       "      <td>[-1, 0]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>24</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>F</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>...</td>\n",
       "      <td>[F, F, F, F, F]</td>\n",
       "      <td>[A, A, A2M, G, MG]</td>\n",
       "      <td>[-1, -1, 0, 1, 13]</td>\n",
       "      <td>[hydrog, hydrog, covale, covale, metalc]</td>\n",
       "      <td>[E, P, F, F, F]</td>\n",
       "      <td>[C, G, A, A2M, C]</td>\n",
       "      <td>[2, 56, -1, 0, 2]</td>\n",
       "      <td>2.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>25</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>G</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>...</td>\n",
       "      <td>[G, G]</td>\n",
       "      <td>[A2M, G]</td>\n",
       "      <td>[0, 1]</td>\n",
       "      <td>[covale, covale]</td>\n",
       "      <td>[G, G]</td>\n",
       "      <td>[A, A2M]</td>\n",
       "      <td>[-1, 0]</td>\n",
       "      <td>7.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>26</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>H</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>...</td>\n",
       "      <td>[H, H, H, H, H]</td>\n",
       "      <td>[A, A, A2M, C, G]</td>\n",
       "      <td>[-1, -1, 0, 2, 1]</td>\n",
       "      <td>[hydrog, hydrog, covale, hydrog, covale]</td>\n",
       "      <td>[G, R, H, G, H]</td>\n",
       "      <td>[C, G, A, A, A2M]</td>\n",
       "      <td>[2, 56, -1, -1, 0]</td>\n",
       "      <td>9.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>27</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>P</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[P, P, P, P, P, P, P, P, P, P, P, P, P, P, P, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[112, 116, 116, 121, 121, 123, 125, 131, 131, ...</td>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[P, P, P, P, P, P, P, P, P, P, P, P, P, P, E, ...</td>\n",
       "      <td>[G, U, U, A, A, G, U, U, U, U, U, U, U, U, U, ...</td>\n",
       "      <td>[24, 105, 105, 100, 100, 30, 97, 91, 91, 92, 9...</td>\n",
       "      <td>14.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>28</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>Q</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[112, 112, 116, 121, 121, 123, 130, 130, 131, ...</td>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, F, F, Q, ...</td>\n",
       "      <td>[G, G, U, A, A, G, U, U, U, U, U, U, U, U, U, ...</td>\n",
       "      <td>[109, 24, 105, 100, 100, 30, 92, 92, 91, 91, 9...</td>\n",
       "      <td>138.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>29</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>R</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[112, 112, 116, 116, 123, 125, 130, 130, 131, ...</td>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[R, R, R, R, R, R, R, R, R, R, R, R, R, R, G, ...</td>\n",
       "      <td>[G, G, U, U, G, U, U, U, U, U, U, U, U, U, U, ...</td>\n",
       "      <td>[109, 24, 105, 105, 30, 97, 92, 92, 91, 91, 90...</td>\n",
       "      <td>274.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>30</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>S</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[121, 121, 130, 130, 131, 131, 132, 132, 138, ...</td>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[S, S, S, S, S, S, S, S, S, S, S, H, H, S, S, ...</td>\n",
       "      <td>[A, A, U, U, U, U, U, U, U, U, U, U, U, U, U, ...</td>\n",
       "      <td>[100, 100, 92, 92, 91, 91, 90, 90, 76, 76, 73,...</td>\n",
       "      <td>403.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>31</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g96</td>\n",
       "      <td>A</td>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y31H,Q36R</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>32</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g96</td>\n",
       "      <td>B</td>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y31H,Q36R</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>33</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g96</td>\n",
       "      <td>C</td>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y31H,Q36R</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>34</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g96</td>\n",
       "      <td>D</td>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y31H,Q36R</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>35</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>E</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>...</td>\n",
       "      <td>[E, E]</td>\n",
       "      <td>[A2M, G]</td>\n",
       "      <td>[0, 1]</td>\n",
       "      <td>[covale, covale]</td>\n",
       "      <td>[E, E]</td>\n",
       "      <td>[A, A2M]</td>\n",
       "      <td>[-1, 0]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>36</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>F</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>...</td>\n",
       "      <td>[F, F, F, F]</td>\n",
       "      <td>[A, A2M, G, HOH]</td>\n",
       "      <td>[-1, 0, 1, 37]</td>\n",
       "      <td>[hydrog, covale, covale, metalc]</td>\n",
       "      <td>[E, F, F, Q]</td>\n",
       "      <td>[C, A, A2M, MG]</td>\n",
       "      <td>[2, -1, 0, 2]</td>\n",
       "      <td>2.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>37</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>G</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>...</td>\n",
       "      <td>[G, G, G]</td>\n",
       "      <td>[A2M, G, MG]</td>\n",
       "      <td>[0, 1, 12]</td>\n",
       "      <td>[covale, covale, metalc]</td>\n",
       "      <td>[G, G, G]</td>\n",
       "      <td>[A, A2M, C]</td>\n",
       "      <td>[-1, 0, 2]</td>\n",
       "      <td>6.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>38</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>H</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>...</td>\n",
       "      <td>[H, H, H]</td>\n",
       "      <td>[A2M, C, G]</td>\n",
       "      <td>[0, 2, 1]</td>\n",
       "      <td>[covale, hydrog, covale]</td>\n",
       "      <td>[H, G, H]</td>\n",
       "      <td>[A, A, A2M]</td>\n",
       "      <td>[-1, -1, 0]</td>\n",
       "      <td>9.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>39</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>P</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[P, P, P, P, P, P, P, P, P, P, P, P, P, P, P, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[112, 112, 116, 116, 121, 123, 130, 132, 132, ...</td>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[P, P, P, P, P, P, P, P, P, P, P, P, E, E, P, ...</td>\n",
       "      <td>[G, G, U, U, A, G, U, U, U, U, U, U, U, U, U, ...</td>\n",
       "      <td>[109, 24, 105, 105, 100, 30, 92, 90, 90, 76, 7...</td>\n",
       "      <td>12.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>40</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>Q</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[112, 112, 116, 116, 121, 121, 123, 130, 130, ...</td>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...</td>\n",
       "      <td>[G, G, U, U, A, A, G, U, U, U, U, U, U, U, U, ...</td>\n",
       "      <td>[109, 24, 105, 105, 100, 100, 30, 92, 92, 91, ...</td>\n",
       "      <td>138.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>41</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>R</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[112, 112, 116, 116, 121, 121, 123, 130, 130, ...</td>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...</td>\n",
       "      <td>[G, G, U, U, A, A, G, U, U, U, U, U, U, A, U, ...</td>\n",
       "      <td>[109, 24, 105, 105, 100, 100, 30, 92, 92, 91, ...</td>\n",
       "      <td>284.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>42</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>S</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[112, 112, 116, 116, 121, 123, 125, 130, 131, ...</td>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[S, S, S, S, S, S, S, S, S, S, H, H, S, S, S, ...</td>\n",
       "      <td>[G, G, U, U, A, G, U, U, U, U, U, U, U, U, U, ...</td>\n",
       "      <td>[109, 24, 105, 105, 100, 30, 96, 92, 91, 76, 1...</td>\n",
       "      <td>430.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>43</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>5wts</td>\n",
       "      <td>A</td>\n",
       "      <td>MSKGEELFTGVVPILVELDGDVNGHKFSVRGEGEGDATNGKLTLKF...</td>\n",
       "      <td>??KGEELFTGVVPILVELDGDVNGHKFSVRGEGEGDATNGKLTLKF...</td>\n",
       "      <td>??KGEELFTGVVPILVELDGDVNGHKFSVRGEGEGDATNGKLTLKF...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[A, A]</td>\n",
       "      <td>[CRO, VAL]</td>\n",
       "      <td>[66, 68]</td>\n",
       "      <td>[covale, covale]</td>\n",
       "      <td>[A, A]</td>\n",
       "      <td>[LEU, CRO]</td>\n",
       "      <td>[64, 66]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>44</th>\n",
       "      <td>2</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>5wts</td>\n",
       "      <td>B</td>\n",
       "      <td>GPMSVPTDGAVTTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYT...</td>\n",
       "      <td>???????????TTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYT...</td>\n",
       "      <td>???????????TTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYT...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;12;13;14;15;16;17;18;19;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>45</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6d7s</td>\n",
       "      <td>A</td>\n",
       "      <td>MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y467A</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>46</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6d7s</td>\n",
       "      <td>B</td>\n",
       "      <td>MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y467A</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>47</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6d7s</td>\n",
       "      <td>C</td>\n",
       "      <td>MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y467A</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>48</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6d7s</td>\n",
       "      <td>D</td>\n",
       "      <td>MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y467A</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>49</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6iwg</td>\n",
       "      <td>A</td>\n",
       "      <td>GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRTE...</td>\n",
       "      <td>GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRTE...</td>\n",
       "      <td>GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRTE...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[CYS, CYS, EDO, EDO, EDO, EDO, HOH, HOH, HOH, ...</td>\n",
       "      <td>[164, 259, 310, 310, 313, 313, 472, 563, 564, ...</td>\n",
       "      <td>[disulf, disulf, metalc, metalc, metalc, metal...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, B, ...</td>\n",
       "      <td>[CYS, CYS, NA, NA, NA, NA, NA, NA, NA, GLN, HI...</td>\n",
       "      <td>[101, 203, 302, 302, 303, 303, 301, 301, 302, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>R128E,K177E,D223E,K264E</td>\n",
       "      <td>4</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>50</th>\n",
       "      <td>2</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6iwg</td>\n",
       "      <td>B</td>\n",
       "      <td>AIQRTPKIQVYSRHPPENGKPNFLNCYVSGFHPSDIEVDLLKNGEK...</td>\n",
       "      <td>AIQRTPKIQVYSRHPPENGKPNFLNCYVSGFHPSDIEVDLLKNGEK...</td>\n",
       "      <td>AIQRTPKIQVYSRHPPENGKPNFLNCYVSGFHPSDIEVDLLKNGEK...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18...</td>\n",
       "      <td>0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18...</td>\n",
       "      <td>...</td>\n",
       "      <td>[B, B, B, B, B, B, B, B]</td>\n",
       "      <td>[CYS, HOH, HOH, HOH, HOH, HOH, NA, NA]</td>\n",
       "      <td>[80, 209, 255, 278, 287, 294, 101, 101]</td>\n",
       "      <td>[disulf, metalc, metalc, metalc, metalc, metal...</td>\n",
       "      <td>[B, B, B, B, B, A, B, B]</td>\n",
       "      <td>[CYS, NA, NA, NA, NA, NA, HIS, LEU]</td>\n",
       "      <td>[25, 101, 101, 101, 101, 301, 84, 87]</td>\n",
       "      <td>17.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>51</th>\n",
       "      <td>3</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6iwg</td>\n",
       "      <td>C</td>\n",
       "      <td>XGGAI</td>\n",
       "      <td>XGGAI</td>\n",
       "      <td>XGGAI</td>\n",
       "      <td>1;2;3;4;5</td>\n",
       "      <td>1;2;3;4;5</td>\n",
       "      <td>1;2;3;4;5</td>\n",
       "      <td>...</td>\n",
       "      <td>[C]</td>\n",
       "      <td>[GLY]</td>\n",
       "      <td>[2]</td>\n",
       "      <td>[covale]</td>\n",
       "      <td>[C]</td>\n",
       "      <td>[MYR]</td>\n",
       "      <td>[1]</td>\n",
       "      <td>25.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>52</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6oon</td>\n",
       "      <td>A</td>\n",
       "      <td>GSMEALGPGPPASLFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...</td>\n",
       "      <td>?????????????LFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...</td>\n",
       "      <td>?????????????LFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;12;13;14;15;16;17;18...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>53</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>6oon</td>\n",
       "      <td>B</td>\n",
       "      <td>AAAAAAAAAAUU</td>\n",
       "      <td>AAAAAAAAAAUU</td>\n",
       "      <td>AAAAAAAAAAUU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;15;20;21</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;15;20;21</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>54 rows × 25 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "   entity_id             protein_type pdb_id chain_id  \\\n",
       "0          1           polypeptide(L)   1a5r        A   \n",
       "1          1           polypeptide(L)   1abn        A   \n",
       "2          1           polypeptide(L)   1aii        A   \n",
       "3          1           polypeptide(L)   1aye        A   \n",
       "4          1           polypeptide(L)   1dfv        A   \n",
       "5          1           polypeptide(L)   1dfv        B   \n",
       "6          1           polypeptide(L)   2xyn        A   \n",
       "7          1           polypeptide(L)   2xyn        B   \n",
       "8          1           polypeptide(L)   2xyn        C   \n",
       "9          1           polypeptide(L)   3azm        A   \n",
       "10         1           polypeptide(L)   3azm        E   \n",
       "11         2           polypeptide(L)   3azm        B   \n",
       "12         2           polypeptide(L)   3azm        F   \n",
       "13         3           polypeptide(L)   3azm        C   \n",
       "14         3           polypeptide(L)   3azm        G   \n",
       "15         4           polypeptide(L)   3azm        D   \n",
       "16         4           polypeptide(L)   3azm        H   \n",
       "17         5  polydeoxyribonucleotide   3azm        I   \n",
       "18         5  polydeoxyribonucleotide   3azm        J   \n",
       "19         1           polypeptide(L)   3g8t        A   \n",
       "20         1           polypeptide(L)   3g8t        B   \n",
       "21         1           polypeptide(L)   3g8t        C   \n",
       "22         1           polypeptide(L)   3g8t        D   \n",
       "23         2       polyribonucleotide   3g8t        E   \n",
       "24         2       polyribonucleotide   3g8t        F   \n",
       "25         2       polyribonucleotide   3g8t        G   \n",
       "26         2       polyribonucleotide   3g8t        H   \n",
       "27         3       polyribonucleotide   3g8t        P   \n",
       "28         3       polyribonucleotide   3g8t        Q   \n",
       "29         3       polyribonucleotide   3g8t        R   \n",
       "30         3       polyribonucleotide   3g8t        S   \n",
       "31         1           polypeptide(L)   3g96        A   \n",
       "32         1           polypeptide(L)   3g96        B   \n",
       "33         1           polypeptide(L)   3g96        C   \n",
       "34         1           polypeptide(L)   3g96        D   \n",
       "35         2       polyribonucleotide   3g96        E   \n",
       "36         2       polyribonucleotide   3g96        F   \n",
       "37         2       polyribonucleotide   3g96        G   \n",
       "38         2       polyribonucleotide   3g96        H   \n",
       "39         3       polyribonucleotide   3g96        P   \n",
       "40         3       polyribonucleotide   3g96        Q   \n",
       "41         3       polyribonucleotide   3g96        R   \n",
       "42         3       polyribonucleotide   3g96        S   \n",
       "43         1           polypeptide(L)   5wts        A   \n",
       "44         2           polypeptide(L)   5wts        B   \n",
       "45         1           polypeptide(L)   6d7s        A   \n",
       "46         1           polypeptide(L)   6d7s        B   \n",
       "47         1           polypeptide(L)   6d7s        C   \n",
       "48         1           polypeptide(L)   6d7s        D   \n",
       "49         1           polypeptide(L)   6iwg        A   \n",
       "50         2           polypeptide(L)   6iwg        B   \n",
       "51         3           polypeptide(L)   6iwg        C   \n",
       "52         1           polypeptide(L)   6oon        A   \n",
       "53         2       polyribonucleotide   6oon        B   \n",
       "\n",
       "                         _pdbx_poly_seq_scheme.mon_id  \\\n",
       "0   GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHL...   \n",
       "1   ASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAH...   \n",
       "2   MASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISILT...   \n",
       "3   LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGET...   \n",
       "4   QDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...   \n",
       "5   QDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...   \n",
       "6   MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...   \n",
       "7   MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...   \n",
       "8   MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...   \n",
       "9   GSHMARTKQTARKSTGGKAPRKQLATKAARKSAPATGGVKKPHRYR...   \n",
       "10  GSHMARTKQTARKSTGGKAPRKQLATKAARKSAPATGGVKKPHRYR...   \n",
       "11  GSHMSGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGG...   \n",
       "12  GSHMSGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGG...   \n",
       "13  GSHMSGRGKQGGKARAKAKTRSSRAGLQFPVGRVHRLLRKGNYSER...   \n",
       "14  GSHMSGRGKQGGKARAKAKTRSSRAGLQFPVGRVHRLLRKGNYSER...   \n",
       "15  GSHMPEPAKSAPAPKKGSKKAVTKAQKKDGKKRKRSRKESYSIYVY...   \n",
       "16  GSHMPEPAKSAPAPKKGSKKAVTKAQKKDGKKRKRSRKESYSIYVY...   \n",
       "17  DADTDCDADADTDADTDCDCDADCDCDTDGDCDADGDADTDTDCDT...   \n",
       "18  DTDTDCDADGDCDTDGDADADCDADTDGDCDCDTDTDTDTDGDADT...   \n",
       "19  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "20  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "21  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "22  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "23                                      AXGCGCCAGAACU   \n",
       "24                                      AXGCGCCAGAACU   \n",
       "25                                      AXGCGCCAGAACU   \n",
       "26                                      AXGCGCCAGAACU   \n",
       "27  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "28  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "29  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "30  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "31  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "32  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "33  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "34  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "35                                      AXGCGCCAGAACU   \n",
       "36                                      AXGCGCCAGAACU   \n",
       "37                                      AXGCGCCAGAACU   \n",
       "38                                      AXGCGCCAGAACU   \n",
       "39  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "40  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "41  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "42  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "43  MSKGEELFTGVVPILVELDGDVNGHKFSVRGEGEGDATNGKLTLKF...   \n",
       "44  GPMSVPTDGAVTTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYT...   \n",
       "45  MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...   \n",
       "46  MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...   \n",
       "47  MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...   \n",
       "48  MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...   \n",
       "49  GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRTE...   \n",
       "50  AIQRTPKIQVYSRHPPENGKPNFLNCYVSGFHPSDIEVDLLKNGEK...   \n",
       "51                                              XGGAI   \n",
       "52  GSMEALGPGPPASLFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...   \n",
       "53                                       AAAAAAAAAAUU   \n",
       "\n",
       "                     _pdbx_poly_seq_scheme.pdb_mon_id  \\\n",
       "0   GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHL...   \n",
       "1   ?SRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAH...   \n",
       "2   ?ASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISILT...   \n",
       "3   LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGET...   \n",
       "4   ????SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...   \n",
       "5   ???TSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...   \n",
       "6   ?????????????????????????KWEMERTDITMKHKLGGGQYG...   \n",
       "7   ?????????????????????????KWEMERTDITMKHKLGGGQYG...   \n",
       "8   ??????????????????????????WEMERTDITMKHKLGGGQYG...   \n",
       "9   ?????????????????????????????????????????PHRYR...   \n",
       "10  ????????????????????????????????????????KPHRYR...   \n",
       "11  ????????????????????????????NIQGITKPAIRRLARRGG...   \n",
       "12  ??????????????????????RKVLRDNIQGITKPAIRRLARRGG...   \n",
       "13  ????????????????KAKTRSSRAGLQFPVGRVHRLLRKGNYSER...   \n",
       "14  ??????????????????KTRSSRAGLQFPVGRVHRLLRKGNYSER...   \n",
       "15  ?????????????????????????????????KRSRKESYSIYVY...   \n",
       "16  ????????????????????????????????????RKESYSIYVY...   \n",
       "17  DADTDCDADADTDADTDCDCDADCDCDTDGDCDADGDADTDTDCDT...   \n",
       "18  DTDTDCDADGDCDTDGDADADCDADTDGDCDCDTDTDTDTDGDADT...   \n",
       "19  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "20  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "21  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "22  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "23                                      AXGCGCCAGAACU   \n",
       "24                                      AXGCGCCAGAACU   \n",
       "25                                      AXGCGCCAGAACU   \n",
       "26                                      AXGCGCCAGAACU   \n",
       "27  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "28  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "29  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "30  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "31  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "32  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "33  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "34  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "35                                      AXGCGCCAGAACU   \n",
       "36                                      AXGCGCCAGAACU   \n",
       "37                                      AXGCGCCAGAACU   \n",
       "38                                      AXGCGCCAGAACU   \n",
       "39  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "40  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "41  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "42  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "43  ??KGEELFTGVVPILVELDGDVNGHKFSVRGEGEGDATNGKLTLKF...   \n",
       "44  ???????????TTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYT...   \n",
       "45  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "46  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "47  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "48  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "49  GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRTE...   \n",
       "50  AIQRTPKIQVYSRHPPENGKPNFLNCYVSGFHPSDIEVDLLKNGEK...   \n",
       "51                                              XGGAI   \n",
       "52  ?????????????LFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...   \n",
       "53                                       AAAAAAAAAAUU   \n",
       "\n",
       "                    _pdbx_poly_seq_scheme.auth_mon_id  \\\n",
       "0   GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHL...   \n",
       "1   ?SRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAH...   \n",
       "2   ?ASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISILT...   \n",
       "3   LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGET...   \n",
       "4   ????SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...   \n",
       "5   ???TSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...   \n",
       "6   ?????????????????????????KWEMERTDITMKHKLGGGQYG...   \n",
       "7   ?????????????????????????KWEMERTDITMKHKLGGGQYG...   \n",
       "8   ??????????????????????????WEMERTDITMKHKLGGGQYG...   \n",
       "9   ?????????????????????????????????????????PHRYR...   \n",
       "10  ????????????????????????????????????????KPHRYR...   \n",
       "11  ????????????????????????????NIQGITKPAIRRLARRGG...   \n",
       "12  ??????????????????????RKVLRDNIQGITKPAIRRLARRGG...   \n",
       "13  ????????????????KAKTRSSRAGLQFPVGRVHRLLRKGNYSER...   \n",
       "14  ??????????????????KTRSSRAGLQFPVGRVHRLLRKGNYSER...   \n",
       "15  ?????????????????????????????????KRSRKESYSIYVY...   \n",
       "16  ????????????????????????????????????RKESYSIYVY...   \n",
       "17  DADTDCDADADTDADTDCDCDADCDCDTDGDCDADGDADTDTDCDT...   \n",
       "18  DTDTDCDADGDCDTDGDADADCDADTDGDCDCDTDTDTDTDGDADT...   \n",
       "19  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "20  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "21  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "22  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "23                                      AXGCGCCAGAACU   \n",
       "24                                      AXGCGCCAGAACU   \n",
       "25                                      AXGCGCCAGAACU   \n",
       "26                                      AXGCGCCAGAACU   \n",
       "27  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "28  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "29  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "30  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "31  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "32  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "33  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "34  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "35                                      AXGCGCCAGAACU   \n",
       "36                                      AXGCGCCAGAACU   \n",
       "37                                      AXGCGCCAGAACU   \n",
       "38                                      AXGCGCCAGAACU   \n",
       "39  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "40  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "41  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "42  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "43  ??KGEELFTGVVPILVELDGDVNGHKFSVRGEGEGDATNGKLTLKF...   \n",
       "44  ???????????TTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYT...   \n",
       "45  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "46  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "47  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "48  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "49  GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRTE...   \n",
       "50  AIQRTPKIQVYSRHPPENGKPNFLNCYVSGFHPSDIEVDLLKNGEK...   \n",
       "51                                              XGGAI   \n",
       "52  ?????????????LFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...   \n",
       "53                                       AAAAAAAAAAUU   \n",
       "\n",
       "                    _pdbx_poly_seq_scheme.ndb_seq_num  \\\n",
       "0   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "1   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "2   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "3   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "4   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "5   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "6   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "7   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "8   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "9   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "10  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "11  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "12  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "13  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "14  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "15  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "16  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "17  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "18  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "19  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "20  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "21  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "22  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "23                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "24                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "25                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "26                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "27  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "28  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "29  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "30  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "31  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "32  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "33  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "34  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "35                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "36                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "37                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "38                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "39  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "40  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "41  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "42  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "43  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "44  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "45  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "46  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "47  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "48  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "49  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "50  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "51                                          1;2;3;4;5   \n",
       "52  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "53                         1;2;3;4;5;6;7;8;9;10;11;12   \n",
       "\n",
       "                    _pdbx_poly_seq_scheme.pdb_seq_num  \\\n",
       "0   -1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17...   \n",
       "1   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "2   2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;...   \n",
       "3   4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;2...   \n",
       "4   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "5   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "6   255;256;257;258;259;260;261;262;263;264;265;26...   \n",
       "7   255;256;257;258;259;260;261;262;263;264;265;26...   \n",
       "8   255;256;257;258;259;260;261;262;263;264;265;26...   \n",
       "9   -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "10  -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "11  -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "12  -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "13  -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "14  -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "15  -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "16  -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "17  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "18  147;148;149;150;151;152;153;154;155;156;157;15...   \n",
       "19  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "20  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "21  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "22  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "23                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "24                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "25                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "26                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "27  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "28  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "29  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "30  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "31  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "32  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "33  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "34  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "35                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "36                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "37                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "38                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "39  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "40  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "41  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "42  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "43  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "44  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "45  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "46  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "47  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "48  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "49  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "50  0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18...   \n",
       "51                                          1;2;3;4;5   \n",
       "52  -1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17...   \n",
       "53                         1;2;3;4;5;6;7;8;9;15;20;21   \n",
       "\n",
       "                   _pdbx_poly_seq_scheme.auth_seq_num  ...  \\\n",
       "0   -1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17...  ...   \n",
       "1   ?;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "2   ?;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;...  ...   \n",
       "3   4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;2...  ...   \n",
       "4   ?;?;?;?;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "5   ?;?;?;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "6   ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "7   ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "8   ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "9   ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "10  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "11  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "12  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;19...  ...   \n",
       "13  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;13;14;15;16;17...  ...   \n",
       "14  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;15;16;17;1...  ...   \n",
       "15  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "16  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "17  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "18  ?;148;149;150;151;152;153;154;155;156;157;158;...  ...   \n",
       "19  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "20  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "21  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "22  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "23                       -1;0;1;2;3;4;5;6;7;8;9;10;11  ...   \n",
       "24                       -1;0;1;2;3;4;5;6;7;8;9;10;11  ...   \n",
       "25                       -1;0;1;2;3;4;5;6;7;8;9;10;11  ...   \n",
       "26                       -1;0;1;2;3;4;5;6;7;8;9;10;11  ...   \n",
       "27  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...  ...   \n",
       "28  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...  ...   \n",
       "29  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...  ...   \n",
       "30  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...  ...   \n",
       "31  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "32  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "33  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "34  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "35                       -1;0;1;2;3;4;5;6;7;8;9;10;11  ...   \n",
       "36                       -1;0;1;2;3;4;5;6;7;8;9;10;11  ...   \n",
       "37                       -1;0;1;2;3;4;5;6;7;8;9;10;11  ...   \n",
       "38                       -1;0;1;2;3;4;5;6;7;8;9;10;11  ...   \n",
       "39  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...  ...   \n",
       "40  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...  ...   \n",
       "41  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...  ...   \n",
       "42  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...  ...   \n",
       "43  ?;?;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "44  ?;?;?;?;?;?;?;?;?;?;?;12;13;14;15;16;17;18;19;...  ...   \n",
       "45  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "46  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "47  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "48  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "49  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "50  0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18...  ...   \n",
       "51                                          1;2;3;4;5  ...   \n",
       "52  ?;?;?;?;?;?;?;?;?;?;?;?;?;12;13;14;15;16;17;18...  ...   \n",
       "53                         1;2;3;4;5;6;7;8;9;15;20;21  ...   \n",
       "\n",
       "                      _struct_conn.ptnr2_auth_asym_id  \\\n",
       "0                                                 NaN   \n",
       "1                                                 NaN   \n",
       "2   [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "3                               [A, A, A, A, A, A, A]   \n",
       "4                                           [A, A, A]   \n",
       "5                                              [B, B]   \n",
       "6                                     [A, A, A, A, A]   \n",
       "7                                                 NaN   \n",
       "8                                                 NaN   \n",
       "9                                                 NaN   \n",
       "10                                                [E]   \n",
       "11                                                NaN   \n",
       "12                                                NaN   \n",
       "13                                                NaN   \n",
       "14                                                NaN   \n",
       "15                                                NaN   \n",
       "16                                                NaN   \n",
       "17                                       [I, I, I, I]   \n",
       "18  [J, J, J, J, J, J, J, J, J, J, J, J, J, J, J, ...   \n",
       "19                                                NaN   \n",
       "20                                                NaN   \n",
       "21                                                NaN   \n",
       "22                                                NaN   \n",
       "23                                             [E, E]   \n",
       "24                                    [F, F, F, F, F]   \n",
       "25                                             [G, G]   \n",
       "26                                    [H, H, H, H, H]   \n",
       "27  [P, P, P, P, P, P, P, P, P, P, P, P, P, P, P, ...   \n",
       "28  [Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...   \n",
       "29  [R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...   \n",
       "30  [S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...   \n",
       "31                                                NaN   \n",
       "32                                                NaN   \n",
       "33                                                NaN   \n",
       "34                                                NaN   \n",
       "35                                             [E, E]   \n",
       "36                                       [F, F, F, F]   \n",
       "37                                          [G, G, G]   \n",
       "38                                          [H, H, H]   \n",
       "39  [P, P, P, P, P, P, P, P, P, P, P, P, P, P, P, ...   \n",
       "40  [Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...   \n",
       "41  [R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...   \n",
       "42  [S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...   \n",
       "43                                             [A, A]   \n",
       "44                                                NaN   \n",
       "45                                                NaN   \n",
       "46                                                NaN   \n",
       "47                                                NaN   \n",
       "48                                                NaN   \n",
       "49  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "50                           [B, B, B, B, B, B, B, B]   \n",
       "51                                                [C]   \n",
       "52                                                NaN   \n",
       "53                                                NaN   \n",
       "\n",
       "                      _struct_conn.ptnr2_auth_comp_id  \\\n",
       "0                                                 NaN   \n",
       "1                                                 NaN   \n",
       "2   [ARG, ASP, ASP, ETA, GLU, GLU, GLU, GLU, GLU, ...   \n",
       "3                 [CYS, CYS, GLU, GLU, HIS, HIS, HOH]   \n",
       "4                                     [CYS, NAG, NAG]   \n",
       "5                                          [CYS, NDG]   \n",
       "6                           [ARG, HOH, HOH, ILE, THR]   \n",
       "7                                                 NaN   \n",
       "8                                                 NaN   \n",
       "9                                                 NaN   \n",
       "10                                               [MN]   \n",
       "11                                                NaN   \n",
       "12                                                NaN   \n",
       "13                                                NaN   \n",
       "14                                                NaN   \n",
       "15                                                NaN   \n",
       "16                                                NaN   \n",
       "17                                   [MN, MN, MN, MN]   \n",
       "18  [DA, DA, DA, DA, DA, DA, DA, DA, DA, DA, DA, D...   \n",
       "19                                                NaN   \n",
       "20                                                NaN   \n",
       "21                                                NaN   \n",
       "22                                                NaN   \n",
       "23                                           [A2M, G]   \n",
       "24                                 [A, A, A2M, G, MG]   \n",
       "25                                           [A2M, G]   \n",
       "26                                  [A, A, A2M, C, G]   \n",
       "27  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "28  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "29  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "30  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "31                                                NaN   \n",
       "32                                                NaN   \n",
       "33                                                NaN   \n",
       "34                                                NaN   \n",
       "35                                           [A2M, G]   \n",
       "36                                   [A, A2M, G, HOH]   \n",
       "37                                       [A2M, G, MG]   \n",
       "38                                        [A2M, C, G]   \n",
       "39  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "40  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "41  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "42  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "43                                         [CRO, VAL]   \n",
       "44                                                NaN   \n",
       "45                                                NaN   \n",
       "46                                                NaN   \n",
       "47                                                NaN   \n",
       "48                                                NaN   \n",
       "49  [CYS, CYS, EDO, EDO, EDO, EDO, HOH, HOH, HOH, ...   \n",
       "50             [CYS, HOH, HOH, HOH, HOH, HOH, NA, NA]   \n",
       "51                                              [GLY]   \n",
       "52                                                NaN   \n",
       "53                                                NaN   \n",
       "\n",
       "                       _struct_conn.ptnr2_auth_seq_id  \\\n",
       "0                                                 NaN   \n",
       "1                                                 NaN   \n",
       "2   [190, 76, 76, 360, 148, 195, 195, 232, 232, 23...   \n",
       "3                    [161, 244, 72, 72, 196, 69, 401]   \n",
       "4                                     [175, 179, 180]   \n",
       "5                                          [175, 178]   \n",
       "6                         [519, 2004, 2006, 449, 452]   \n",
       "7                                                 NaN   \n",
       "8                                                 NaN   \n",
       "9                                                 NaN   \n",
       "10                                             [1001]   \n",
       "11                                                NaN   \n",
       "12                                                NaN   \n",
       "13                                                NaN   \n",
       "14                                                NaN   \n",
       "15                                                NaN   \n",
       "16                                                NaN   \n",
       "17                           [1001, 1001, 1002, 1003]   \n",
       "18  [150, 150, 151, 151, 153, 153, 157, 157, 163, ...   \n",
       "19                                                NaN   \n",
       "20                                                NaN   \n",
       "21                                                NaN   \n",
       "22                                                NaN   \n",
       "23                                             [0, 1]   \n",
       "24                                 [-1, -1, 0, 1, 13]   \n",
       "25                                             [0, 1]   \n",
       "26                                  [-1, -1, 0, 2, 1]   \n",
       "27  [112, 116, 116, 121, 121, 123, 125, 131, 131, ...   \n",
       "28  [112, 112, 116, 121, 121, 123, 130, 130, 131, ...   \n",
       "29  [112, 112, 116, 116, 123, 125, 130, 130, 131, ...   \n",
       "30  [121, 121, 130, 130, 131, 131, 132, 132, 138, ...   \n",
       "31                                                NaN   \n",
       "32                                                NaN   \n",
       "33                                                NaN   \n",
       "34                                                NaN   \n",
       "35                                             [0, 1]   \n",
       "36                                     [-1, 0, 1, 37]   \n",
       "37                                         [0, 1, 12]   \n",
       "38                                          [0, 2, 1]   \n",
       "39  [112, 112, 116, 116, 121, 123, 130, 132, 132, ...   \n",
       "40  [112, 112, 116, 116, 121, 121, 123, 130, 130, ...   \n",
       "41  [112, 112, 116, 116, 121, 121, 123, 130, 130, ...   \n",
       "42  [112, 112, 116, 116, 121, 123, 125, 130, 131, ...   \n",
       "43                                           [66, 68]   \n",
       "44                                                NaN   \n",
       "45                                                NaN   \n",
       "46                                                NaN   \n",
       "47                                                NaN   \n",
       "48                                                NaN   \n",
       "49  [164, 259, 310, 310, 313, 313, 472, 563, 564, ...   \n",
       "50            [80, 209, 255, 278, 287, 294, 101, 101]   \n",
       "51                                                [2]   \n",
       "52                                                NaN   \n",
       "53                                                NaN   \n",
       "\n",
       "                            _struct_conn.conn_type_id  \\\n",
       "0                                                 NaN   \n",
       "1                                                 NaN   \n",
       "2   [metalc, metalc, metalc, metalc, metalc, metal...   \n",
       "3   [disulf, disulf, metalc, metalc, metalc, metal...   \n",
       "4                            [disulf, covale, covale]   \n",
       "5                                    [disulf, covale]   \n",
       "6            [metalc, metalc, metalc, metalc, metalc]   \n",
       "7                                                 NaN   \n",
       "8                                                 NaN   \n",
       "9                                                 NaN   \n",
       "10                                           [metalc]   \n",
       "11                                                NaN   \n",
       "12                                                NaN   \n",
       "13                                                NaN   \n",
       "14                                                NaN   \n",
       "15                                                NaN   \n",
       "16                                                NaN   \n",
       "17                   [metalc, metalc, metalc, metalc]   \n",
       "18  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "19                                                NaN   \n",
       "20                                                NaN   \n",
       "21                                                NaN   \n",
       "22                                                NaN   \n",
       "23                                   [covale, covale]   \n",
       "24           [hydrog, hydrog, covale, covale, metalc]   \n",
       "25                                   [covale, covale]   \n",
       "26           [hydrog, hydrog, covale, hydrog, covale]   \n",
       "27  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "28  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "29  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "30  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "31                                                NaN   \n",
       "32                                                NaN   \n",
       "33                                                NaN   \n",
       "34                                                NaN   \n",
       "35                                   [covale, covale]   \n",
       "36                   [hydrog, covale, covale, metalc]   \n",
       "37                           [covale, covale, metalc]   \n",
       "38                           [covale, hydrog, covale]   \n",
       "39  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "40  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "41  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "42  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "43                                   [covale, covale]   \n",
       "44                                                NaN   \n",
       "45                                                NaN   \n",
       "46                                                NaN   \n",
       "47                                                NaN   \n",
       "48                                                NaN   \n",
       "49  [disulf, disulf, metalc, metalc, metalc, metal...   \n",
       "50  [disulf, metalc, metalc, metalc, metalc, metal...   \n",
       "51                                           [covale]   \n",
       "52                                                NaN   \n",
       "53                                                NaN   \n",
       "\n",
       "                      _struct_conn.ptnr1_auth_asym_id  \\\n",
       "0                                                 NaN   \n",
       "1                                                 NaN   \n",
       "2   [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "3                               [A, A, A, A, A, A, A]   \n",
       "4                                           [A, A, A]   \n",
       "5                                              [B, B]   \n",
       "6                                     [A, A, A, A, A]   \n",
       "7                                                 NaN   \n",
       "8                                                 NaN   \n",
       "9                                                 NaN   \n",
       "10                                                [E]   \n",
       "11                                                NaN   \n",
       "12                                                NaN   \n",
       "13                                                NaN   \n",
       "14                                                NaN   \n",
       "15                                                NaN   \n",
       "16                                                NaN   \n",
       "17                                       [I, I, I, I]   \n",
       "18  [I, I, I, I, I, I, I, I, I, I, I, I, I, I, I, ...   \n",
       "19                                                NaN   \n",
       "20                                                NaN   \n",
       "21                                                NaN   \n",
       "22                                                NaN   \n",
       "23                                             [E, E]   \n",
       "24                                    [E, P, F, F, F]   \n",
       "25                                             [G, G]   \n",
       "26                                    [G, R, H, G, H]   \n",
       "27  [P, P, P, P, P, P, P, P, P, P, P, P, P, P, E, ...   \n",
       "28  [Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, F, F, Q, ...   \n",
       "29  [R, R, R, R, R, R, R, R, R, R, R, R, R, R, G, ...   \n",
       "30  [S, S, S, S, S, S, S, S, S, S, S, H, H, S, S, ...   \n",
       "31                                                NaN   \n",
       "32                                                NaN   \n",
       "33                                                NaN   \n",
       "34                                                NaN   \n",
       "35                                             [E, E]   \n",
       "36                                       [E, F, F, Q]   \n",
       "37                                          [G, G, G]   \n",
       "38                                          [H, G, H]   \n",
       "39  [P, P, P, P, P, P, P, P, P, P, P, P, E, E, P, ...   \n",
       "40  [Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...   \n",
       "41  [R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...   \n",
       "42  [S, S, S, S, S, S, S, S, S, S, H, H, S, S, S, ...   \n",
       "43                                             [A, A]   \n",
       "44                                                NaN   \n",
       "45                                                NaN   \n",
       "46                                                NaN   \n",
       "47                                                NaN   \n",
       "48                                                NaN   \n",
       "49  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, B, ...   \n",
       "50                           [B, B, B, B, B, A, B, B]   \n",
       "51                                                [C]   \n",
       "52                                                NaN   \n",
       "53                                                NaN   \n",
       "\n",
       "                      _struct_conn.ptnr1_auth_comp_id  \\\n",
       "0                                                 NaN   \n",
       "1                                                 NaN   \n",
       "2   [CA, CA, CA, CA, CA, CA, CA, CA, CA, CA, CA, C...   \n",
       "3                      [CYS, CYS, ZN, ZN, ZN, ZN, ZN]   \n",
       "4                                     [CYS, ASN, NAG]   \n",
       "5                                          [CYS, ASN]   \n",
       "6                                [NA, NA, NA, NA, NA]   \n",
       "7                                                 NaN   \n",
       "8                                                 NaN   \n",
       "9                                                 NaN   \n",
       "10                                              [ASP]   \n",
       "11                                                NaN   \n",
       "12                                                NaN   \n",
       "13                                                NaN   \n",
       "14                                                NaN   \n",
       "15                                                NaN   \n",
       "16                                                NaN   \n",
       "17                                   [DG, DG, DG, DA]   \n",
       "18  [DT, DT, DT, DT, DT, DT, DT, DT, DC, DT, DT, D...   \n",
       "19                                                NaN   \n",
       "20                                                NaN   \n",
       "21                                                NaN   \n",
       "22                                                NaN   \n",
       "23                                           [A, A2M]   \n",
       "24                                  [C, G, A, A2M, C]   \n",
       "25                                           [A, A2M]   \n",
       "26                                  [C, G, A, A, A2M]   \n",
       "27  [G, U, U, A, A, G, U, U, U, U, U, U, U, U, U, ...   \n",
       "28  [G, G, U, A, A, G, U, U, U, U, U, U, U, U, U, ...   \n",
       "29  [G, G, U, U, G, U, U, U, U, U, U, U, U, U, U, ...   \n",
       "30  [A, A, U, U, U, U, U, U, U, U, U, U, U, U, U, ...   \n",
       "31                                                NaN   \n",
       "32                                                NaN   \n",
       "33                                                NaN   \n",
       "34                                                NaN   \n",
       "35                                           [A, A2M]   \n",
       "36                                    [C, A, A2M, MG]   \n",
       "37                                        [A, A2M, C]   \n",
       "38                                        [A, A, A2M]   \n",
       "39  [G, G, U, U, A, G, U, U, U, U, U, U, U, U, U, ...   \n",
       "40  [G, G, U, U, A, A, G, U, U, U, U, U, U, U, U, ...   \n",
       "41  [G, G, U, U, A, A, G, U, U, U, U, U, U, A, U, ...   \n",
       "42  [G, G, U, U, A, G, U, U, U, U, U, U, U, U, U, ...   \n",
       "43                                         [LEU, CRO]   \n",
       "44                                                NaN   \n",
       "45                                                NaN   \n",
       "46                                                NaN   \n",
       "47                                                NaN   \n",
       "48                                                NaN   \n",
       "49  [CYS, CYS, NA, NA, NA, NA, NA, NA, NA, GLN, HI...   \n",
       "50                [CYS, NA, NA, NA, NA, NA, HIS, LEU]   \n",
       "51                                              [MYR]   \n",
       "52                                                NaN   \n",
       "53                                                NaN   \n",
       "\n",
       "                       _struct_conn.ptnr1_auth_seq_id  \\\n",
       "0                                                 NaN   \n",
       "1                                                 NaN   \n",
       "2   [353, 351, 351, 355, 357, 355, 355, 353, 353, ...   \n",
       "3                 [138, 210, 400, 400, 400, 400, 400]   \n",
       "4                                       [76, 65, 179]   \n",
       "5                                            [76, 65]   \n",
       "6                                 [549, 1, 549, 1, 1]   \n",
       "7                                                 NaN   \n",
       "8                                                 NaN   \n",
       "9                                                 NaN   \n",
       "10                                               [77]   \n",
       "11                                                NaN   \n",
       "12                                                NaN   \n",
       "13                                                NaN   \n",
       "14                                                NaN   \n",
       "15                                                NaN   \n",
       "16                                                NaN   \n",
       "17                               [100, 100, 121, 133]   \n",
       "18  [143, 143, 142, 142, 140, 140, 136, 136, 129, ...   \n",
       "19                                                NaN   \n",
       "20                                                NaN   \n",
       "21                                                NaN   \n",
       "22                                                NaN   \n",
       "23                                            [-1, 0]   \n",
       "24                                  [2, 56, -1, 0, 2]   \n",
       "25                                            [-1, 0]   \n",
       "26                                 [2, 56, -1, -1, 0]   \n",
       "27  [24, 105, 105, 100, 100, 30, 97, 91, 91, 92, 9...   \n",
       "28  [109, 24, 105, 100, 100, 30, 92, 92, 91, 91, 9...   \n",
       "29  [109, 24, 105, 105, 30, 97, 92, 92, 91, 91, 90...   \n",
       "30  [100, 100, 92, 92, 91, 91, 90, 90, 76, 76, 73,...   \n",
       "31                                                NaN   \n",
       "32                                                NaN   \n",
       "33                                                NaN   \n",
       "34                                                NaN   \n",
       "35                                            [-1, 0]   \n",
       "36                                      [2, -1, 0, 2]   \n",
       "37                                         [-1, 0, 2]   \n",
       "38                                        [-1, -1, 0]   \n",
       "39  [109, 24, 105, 105, 100, 30, 92, 90, 90, 76, 7...   \n",
       "40  [109, 24, 105, 105, 100, 100, 30, 92, 92, 91, ...   \n",
       "41  [109, 24, 105, 105, 100, 100, 30, 92, 92, 91, ...   \n",
       "42  [109, 24, 105, 105, 100, 30, 96, 92, 91, 76, 1...   \n",
       "43                                           [64, 66]   \n",
       "44                                                NaN   \n",
       "45                                                NaN   \n",
       "46                                                NaN   \n",
       "47                                                NaN   \n",
       "48                                                NaN   \n",
       "49  [101, 203, 302, 302, 303, 303, 301, 301, 302, ...   \n",
       "50              [25, 101, 101, 101, 101, 301, 84, 87]   \n",
       "51                                                [1]   \n",
       "52                                                NaN   \n",
       "53                                                NaN   \n",
       "\n",
       "   _struct_conn.ptnr2_auth_asym_id_index         mutation_content mutation_num  \n",
       "0                                    NaN                        ?            0  \n",
       "1                                    NaN                        ?            0  \n",
       "2                                    0.0                        ?            0  \n",
       "3                                    0.0                        ?            0  \n",
       "4                                    0.0                        ?            0  \n",
       "5                                    3.0                        ?            0  \n",
       "6                                    0.0                        ?            0  \n",
       "7                                    NaN                        ?            0  \n",
       "8                                    NaN                        ?            0  \n",
       "9                                    NaN                        ?            0  \n",
       "10                                   0.0                        ?            0  \n",
       "11                                   NaN                     K79Q            1  \n",
       "12                                   NaN                     K79Q            1  \n",
       "13                                   NaN                        ?            0  \n",
       "14                                   NaN                        ?            0  \n",
       "15                                   NaN                        ?            0  \n",
       "16                                   NaN                        ?            0  \n",
       "17                                   1.0                        ?            0  \n",
       "18                                   5.0                        ?            0  \n",
       "19                                   NaN                Y31H,Q36R            2  \n",
       "20                                   NaN                Y31H,Q36R            2  \n",
       "21                                   NaN                Y31H,Q36R            2  \n",
       "22                                   NaN                Y31H,Q36R            2  \n",
       "23                                   0.0                        ?            0  \n",
       "24                                   2.0                        ?            0  \n",
       "25                                   7.0                        ?            0  \n",
       "26                                   9.0                        ?            0  \n",
       "27                                  14.0                        ?            0  \n",
       "28                                 138.0                        ?            0  \n",
       "29                                 274.0                        ?            0  \n",
       "30                                 403.0                        ?            0  \n",
       "31                                   NaN                Y31H,Q36R            2  \n",
       "32                                   NaN                Y31H,Q36R            2  \n",
       "33                                   NaN                Y31H,Q36R            2  \n",
       "34                                   NaN                Y31H,Q36R            2  \n",
       "35                                   0.0                        ?            0  \n",
       "36                                   2.0                        ?            0  \n",
       "37                                   6.0                        ?            0  \n",
       "38                                   9.0                        ?            0  \n",
       "39                                  12.0                        ?            0  \n",
       "40                                 138.0                        ?            0  \n",
       "41                                 284.0                        ?            0  \n",
       "42                                 430.0                        ?            0  \n",
       "43                                   0.0                        ?            0  \n",
       "44                                   NaN                        ?            0  \n",
       "45                                   NaN                    Y467A            1  \n",
       "46                                   NaN                    Y467A            1  \n",
       "47                                   NaN                    Y467A            1  \n",
       "48                                   NaN                    Y467A            1  \n",
       "49                                   0.0  R128E,K177E,D223E,K264E            4  \n",
       "50                                  17.0                        ?            0  \n",
       "51                                  25.0                        ?            0  \n",
       "52                                   NaN                        ?            0  \n",
       "53                                   NaN                        ?            0  \n",
       "\n",
       "[54 rows x 25 columns]"
      ]
     },
     "execution_count": 5,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_new"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 29,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
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       "  <thead>\n",
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       "      <th></th>\n",
       "      <th>entity_id</th>\n",
       "      <th>protein_type</th>\n",
       "      <th>pdb_id</th>\n",
       "      <th>chain_id</th>\n",
       "      <th>_pdbx_poly_seq_scheme.mon_id</th>\n",
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       "      <th>_pdbx_poly_seq_scheme.auth_seq_num</th>\n",
       "      <th>...</th>\n",
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       "      <th>_struct_conn.ptnr2_auth_comp_id</th>\n",
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       "      <th>_struct_conn.conn_type_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_asym_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_comp_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_seq_id</th>\n",
       "      <th>_struct_conn.ptnr2_auth_asym_id_index</th>\n",
       "      <th>mutation_content</th>\n",
       "      <th>mutation_num</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>1a5r</td>\n",
       "      <td>A</td>\n",
       "      <td>GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHL...</td>\n",
       "      <td>GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHL...</td>\n",
       "      <td>GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHL...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17...</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>1abn</td>\n",
       "      <td>A</td>\n",
       "      <td>ASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAH...</td>\n",
       "      <td>?SRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAH...</td>\n",
       "      <td>?SRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAH...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>1aii</td>\n",
       "      <td>A</td>\n",
       "      <td>MASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISILT...</td>\n",
       "      <td>?ASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISILT...</td>\n",
       "      <td>?ASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISILT...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;...</td>\n",
       "      <td>?;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;...</td>\n",
       "      <td>...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[ARG, ASP, ASP, ETA, GLU, GLU, GLU, GLU, GLU, ...</td>\n",
       "      <td>[190, 76, 76, 360, 148, 195, 195, 232, 232, 23...</td>\n",
       "      <td>[metalc, metalc, metalc, metalc, metalc, metal...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[CA, CA, CA, CA, CA, CA, CA, CA, CA, CA, CA, C...</td>\n",
       "      <td>[353, 351, 351, 355, 357, 355, 355, 353, 353, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>1aye</td>\n",
       "      <td>A</td>\n",
       "      <td>LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGET...</td>\n",
       "      <td>LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGET...</td>\n",
       "      <td>LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGET...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;2...</td>\n",
       "      <td>4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;2...</td>\n",
       "      <td>...</td>\n",
       "      <td>[A, A, A, A, A, A, A]</td>\n",
       "      <td>[CYS, CYS, GLU, GLU, HIS, HIS, HOH]</td>\n",
       "      <td>[161, 244, 72, 72, 196, 69, 401]</td>\n",
       "      <td>[disulf, disulf, metalc, metalc, metalc, metal...</td>\n",
       "      <td>[A, A, A, A, A, A, A]</td>\n",
       "      <td>[CYS, CYS, ZN, ZN, ZN, ZN, ZN]</td>\n",
       "      <td>[138, 210, 400, 400, 400, 400, 400]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>1dfv</td>\n",
       "      <td>A</td>\n",
       "      <td>QDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...</td>\n",
       "      <td>????SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...</td>\n",
       "      <td>????SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[A, A, A]</td>\n",
       "      <td>[CYS, NAG, NAG]</td>\n",
       "      <td>[175, 179, 180]</td>\n",
       "      <td>[disulf, covale, covale]</td>\n",
       "      <td>[A, A, A]</td>\n",
       "      <td>[CYS, ASN, NAG]</td>\n",
       "      <td>[76, 65, 179]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>1dfv</td>\n",
       "      <td>B</td>\n",
       "      <td>QDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...</td>\n",
       "      <td>???TSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...</td>\n",
       "      <td>???TSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[B, B]</td>\n",
       "      <td>[CYS, NDG]</td>\n",
       "      <td>[175, 178]</td>\n",
       "      <td>[disulf, covale]</td>\n",
       "      <td>[B, B]</td>\n",
       "      <td>[CYS, ASN]</td>\n",
       "      <td>[76, 65]</td>\n",
       "      <td>3.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>2xyn</td>\n",
       "      <td>A</td>\n",
       "      <td>MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>?????????????????????????KWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>?????????????????????????KWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>255;256;257;258;259;260;261;262;263;264;265;26...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>[A, A, A, A, A]</td>\n",
       "      <td>[ARG, HOH, HOH, ILE, THR]</td>\n",
       "      <td>[519, 2004, 2006, 449, 452]</td>\n",
       "      <td>[metalc, metalc, metalc, metalc, metalc]</td>\n",
       "      <td>[A, A, A, A, A]</td>\n",
       "      <td>[NA, NA, NA, NA, NA]</td>\n",
       "      <td>[549, 1, 549, 1, 1]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>2xyn</td>\n",
       "      <td>B</td>\n",
       "      <td>MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>?????????????????????????KWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>?????????????????????????KWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>255;256;257;258;259;260;261;262;263;264;265;26...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>2xyn</td>\n",
       "      <td>C</td>\n",
       "      <td>MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>??????????????????????????WEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>??????????????????????????WEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>255;256;257;258;259;260;261;262;263;264;265;26...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>A</td>\n",
       "      <td>GSHMARTKQTARKSTGGKAPRKQLATKAARKSAPATGGVKKPHRYR...</td>\n",
       "      <td>?????????????????????????????????????????PHRYR...</td>\n",
       "      <td>?????????????????????????????????????????PHRYR...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>E</td>\n",
       "      <td>GSHMARTKQTARKSTGGKAPRKQLATKAARKSAPATGGVKKPHRYR...</td>\n",
       "      <td>????????????????????????????????????????KPHRYR...</td>\n",
       "      <td>????????????????????????????????????????KPHRYR...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>[E]</td>\n",
       "      <td>[MN]</td>\n",
       "      <td>[1001]</td>\n",
       "      <td>[metalc]</td>\n",
       "      <td>[E]</td>\n",
       "      <td>[ASP]</td>\n",
       "      <td>[77]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>2</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>B</td>\n",
       "      <td>GSHMSGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGG...</td>\n",
       "      <td>????????????????????????????NIQGITKPAIRRLARRGG...</td>\n",
       "      <td>????????????????????????????NIQGITKPAIRRLARRGG...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>K79Q</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>2</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>F</td>\n",
       "      <td>GSHMSGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGG...</td>\n",
       "      <td>??????????????????????RKVLRDNIQGITKPAIRRLARRGG...</td>\n",
       "      <td>??????????????????????RKVLRDNIQGITKPAIRRLARRGG...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;19...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>K79Q</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>3</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>C</td>\n",
       "      <td>GSHMSGRGKQGGKARAKAKTRSSRAGLQFPVGRVHRLLRKGNYSER...</td>\n",
       "      <td>????????????????KAKTRSSRAGLQFPVGRVHRLLRKGNYSER...</td>\n",
       "      <td>????????????????KAKTRSSRAGLQFPVGRVHRLLRKGNYSER...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;13;14;15;16;17...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>3</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>G</td>\n",
       "      <td>GSHMSGRGKQGGKARAKAKTRSSRAGLQFPVGRVHRLLRKGNYSER...</td>\n",
       "      <td>??????????????????KTRSSRAGLQFPVGRVHRLLRKGNYSER...</td>\n",
       "      <td>??????????????????KTRSSRAGLQFPVGRVHRLLRKGNYSER...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;15;16;17;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>4</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>D</td>\n",
       "      <td>GSHMPEPAKSAPAPKKGSKKAVTKAQKKDGKKRKRSRKESYSIYVY...</td>\n",
       "      <td>?????????????????????????????????KRSRKESYSIYVY...</td>\n",
       "      <td>?????????????????????????????????KRSRKESYSIYVY...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>4</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>H</td>\n",
       "      <td>GSHMPEPAKSAPAPKKGSKKAVTKAQKKDGKKRKRSRKESYSIYVY...</td>\n",
       "      <td>????????????????????????????????????RKESYSIYVY...</td>\n",
       "      <td>????????????????????????????????????RKESYSIYVY...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>5</td>\n",
       "      <td>polydeoxyribonucleotide</td>\n",
       "      <td>3azm</td>\n",
       "      <td>I</td>\n",
       "      <td>DADTDCDADADTDADTDCDCDADCDCDTDGDCDADGDADTDTDCDT...</td>\n",
       "      <td>DADTDCDADADTDADTDCDCDADCDCDTDGDCDADGDADTDTDCDT...</td>\n",
       "      <td>DADTDCDADADTDADTDCDCDADCDCDTDGDCDADGDADTDTDCDT...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[I, I, I, I]</td>\n",
       "      <td>[MN, MN, MN, MN]</td>\n",
       "      <td>[1001, 1001, 1002, 1003]</td>\n",
       "      <td>[metalc, metalc, metalc, metalc]</td>\n",
       "      <td>[I, I, I, I]</td>\n",
       "      <td>[DG, DG, DG, DA]</td>\n",
       "      <td>[100, 100, 121, 133]</td>\n",
       "      <td>1.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18</th>\n",
       "      <td>5</td>\n",
       "      <td>polydeoxyribonucleotide</td>\n",
       "      <td>3azm</td>\n",
       "      <td>J</td>\n",
       "      <td>DTDTDCDADGDCDTDGDADADCDADTDGDCDCDTDTDTDTDGDADT...</td>\n",
       "      <td>DTDTDCDADGDCDTDGDADADCDADTDGDCDCDTDTDTDTDGDADT...</td>\n",
       "      <td>DTDTDCDADGDCDTDGDADADCDADTDGDCDCDTDTDTDTDGDADT...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>147;148;149;150;151;152;153;154;155;156;157;15...</td>\n",
       "      <td>?;148;149;150;151;152;153;154;155;156;157;158;...</td>\n",
       "      <td>...</td>\n",
       "      <td>[J, J, J, J, J, J, J, J, J, J, J, J, J, J, J, ...</td>\n",
       "      <td>[DA, DA, DA, DA, DA, DA, DA, DA, DA, DA, DA, D...</td>\n",
       "      <td>[150, 150, 151, 151, 153, 153, 157, 157, 163, ...</td>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[I, I, I, I, I, I, I, I, I, I, I, I, I, I, I, ...</td>\n",
       "      <td>[DT, DT, DT, DT, DT, DT, DT, DT, DC, DT, DT, D...</td>\n",
       "      <td>[143, 143, 142, 142, 140, 140, 136, 136, 129, ...</td>\n",
       "      <td>5.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>19</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>A</td>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y31H,Q36R</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>20</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>B</td>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y31H,Q36R</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>21</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>C</td>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y31H,Q36R</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>22</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>D</td>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y31H,Q36R</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>23</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>E</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>...</td>\n",
       "      <td>[E, E]</td>\n",
       "      <td>[A2M, G]</td>\n",
       "      <td>[0, 1]</td>\n",
       "      <td>[covale, covale]</td>\n",
       "      <td>[E, E]</td>\n",
       "      <td>[A, A2M]</td>\n",
       "      <td>[-1, 0]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>24</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>F</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>...</td>\n",
       "      <td>[F, F, F, F, F]</td>\n",
       "      <td>[A, A, A2M, G, MG]</td>\n",
       "      <td>[-1, -1, 0, 1, 13]</td>\n",
       "      <td>[hydrog, hydrog, covale, covale, metalc]</td>\n",
       "      <td>[E, P, F, F, F]</td>\n",
       "      <td>[C, G, A, A2M, C]</td>\n",
       "      <td>[2, 56, -1, 0, 2]</td>\n",
       "      <td>2.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>25</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>G</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>...</td>\n",
       "      <td>[G, G]</td>\n",
       "      <td>[A2M, G]</td>\n",
       "      <td>[0, 1]</td>\n",
       "      <td>[covale, covale]</td>\n",
       "      <td>[G, G]</td>\n",
       "      <td>[A, A2M]</td>\n",
       "      <td>[-1, 0]</td>\n",
       "      <td>7.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>26</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>H</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>...</td>\n",
       "      <td>[H, H, H, H, H]</td>\n",
       "      <td>[A, A, A2M, C, G]</td>\n",
       "      <td>[-1, -1, 0, 2, 1]</td>\n",
       "      <td>[hydrog, hydrog, covale, hydrog, covale]</td>\n",
       "      <td>[G, R, H, G, H]</td>\n",
       "      <td>[C, G, A, A, A2M]</td>\n",
       "      <td>[2, 56, -1, -1, 0]</td>\n",
       "      <td>9.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>27</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>P</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[P, P, P, P, P, P, P, P, P, P, P, P, P, P, P, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[112, 116, 116, 121, 121, 123, 125, 131, 131, ...</td>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[P, P, P, P, P, P, P, P, P, P, P, P, P, P, E, ...</td>\n",
       "      <td>[G, U, U, A, A, G, U, U, U, U, U, U, U, U, U, ...</td>\n",
       "      <td>[24, 105, 105, 100, 100, 30, 97, 91, 91, 92, 9...</td>\n",
       "      <td>14.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>28</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>Q</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[112, 112, 116, 121, 121, 123, 130, 130, 131, ...</td>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, F, F, Q, ...</td>\n",
       "      <td>[G, G, U, A, A, G, U, U, U, U, U, U, U, U, U, ...</td>\n",
       "      <td>[109, 24, 105, 100, 100, 30, 92, 92, 91, 91, 9...</td>\n",
       "      <td>138.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>29</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>R</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[112, 112, 116, 116, 123, 125, 130, 130, 131, ...</td>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[R, R, R, R, R, R, R, R, R, R, R, R, R, R, G, ...</td>\n",
       "      <td>[G, G, U, U, G, U, U, U, U, U, U, U, U, U, U, ...</td>\n",
       "      <td>[109, 24, 105, 105, 30, 97, 92, 92, 91, 91, 90...</td>\n",
       "      <td>274.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>30</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>S</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[121, 121, 130, 130, 131, 131, 132, 132, 138, ...</td>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[S, S, S, S, S, S, S, S, S, S, S, H, H, S, S, ...</td>\n",
       "      <td>[A, A, U, U, U, U, U, U, U, U, U, U, U, U, U, ...</td>\n",
       "      <td>[100, 100, 92, 92, 91, 91, 90, 90, 76, 76, 73,...</td>\n",
       "      <td>403.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>31</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g96</td>\n",
       "      <td>A</td>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y31H,Q36R</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>32</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g96</td>\n",
       "      <td>B</td>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y31H,Q36R</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>33</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g96</td>\n",
       "      <td>C</td>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y31H,Q36R</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>34</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g96</td>\n",
       "      <td>D</td>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y31H,Q36R</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>35</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>E</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>...</td>\n",
       "      <td>[E, E]</td>\n",
       "      <td>[A2M, G]</td>\n",
       "      <td>[0, 1]</td>\n",
       "      <td>[covale, covale]</td>\n",
       "      <td>[E, E]</td>\n",
       "      <td>[A, A2M]</td>\n",
       "      <td>[-1, 0]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>36</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>F</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>...</td>\n",
       "      <td>[F, F, F, F]</td>\n",
       "      <td>[A, A2M, G, HOH]</td>\n",
       "      <td>[-1, 0, 1, 37]</td>\n",
       "      <td>[hydrog, covale, covale, metalc]</td>\n",
       "      <td>[E, F, F, Q]</td>\n",
       "      <td>[C, A, A2M, MG]</td>\n",
       "      <td>[2, -1, 0, 2]</td>\n",
       "      <td>2.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>37</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>G</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>...</td>\n",
       "      <td>[G, G, G]</td>\n",
       "      <td>[A2M, G, MG]</td>\n",
       "      <td>[0, 1, 12]</td>\n",
       "      <td>[covale, covale, metalc]</td>\n",
       "      <td>[G, G, G]</td>\n",
       "      <td>[A, A2M, C]</td>\n",
       "      <td>[-1, 0, 2]</td>\n",
       "      <td>6.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>38</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>H</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>...</td>\n",
       "      <td>[H, H, H]</td>\n",
       "      <td>[A2M, C, G]</td>\n",
       "      <td>[0, 2, 1]</td>\n",
       "      <td>[covale, hydrog, covale]</td>\n",
       "      <td>[H, G, H]</td>\n",
       "      <td>[A, A, A2M]</td>\n",
       "      <td>[-1, -1, 0]</td>\n",
       "      <td>9.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>39</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>P</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[P, P, P, P, P, P, P, P, P, P, P, P, P, P, P, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[112, 112, 116, 116, 121, 123, 130, 132, 132, ...</td>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[P, P, P, P, P, P, P, P, P, P, P, P, E, E, P, ...</td>\n",
       "      <td>[G, G, U, U, A, G, U, U, U, U, U, U, U, U, U, ...</td>\n",
       "      <td>[109, 24, 105, 105, 100, 30, 92, 90, 90, 76, 7...</td>\n",
       "      <td>12.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>40</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>Q</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[112, 112, 116, 116, 121, 121, 123, 130, 130, ...</td>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...</td>\n",
       "      <td>[G, G, U, U, A, A, G, U, U, U, U, U, U, U, U, ...</td>\n",
       "      <td>[109, 24, 105, 105, 100, 100, 30, 92, 92, 91, ...</td>\n",
       "      <td>138.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>41</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>R</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[112, 112, 116, 116, 121, 121, 123, 130, 130, ...</td>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...</td>\n",
       "      <td>[G, G, U, U, A, A, G, U, U, U, U, U, U, A, U, ...</td>\n",
       "      <td>[109, 24, 105, 105, 100, 100, 30, 92, 92, 91, ...</td>\n",
       "      <td>284.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>42</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>S</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[112, 112, 116, 116, 121, 123, 125, 130, 131, ...</td>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[S, S, S, S, S, S, S, S, S, S, H, H, S, S, S, ...</td>\n",
       "      <td>[G, G, U, U, A, G, U, U, U, U, U, U, U, U, U, ...</td>\n",
       "      <td>[109, 24, 105, 105, 100, 30, 96, 92, 91, 76, 1...</td>\n",
       "      <td>430.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>43</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6d7s</td>\n",
       "      <td>A</td>\n",
       "      <td>MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y467A</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>44</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6d7s</td>\n",
       "      <td>B</td>\n",
       "      <td>MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y467A</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>45</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6d7s</td>\n",
       "      <td>C</td>\n",
       "      <td>MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y467A</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>46</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6d7s</td>\n",
       "      <td>D</td>\n",
       "      <td>MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y467A</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>47</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6iwg</td>\n",
       "      <td>A</td>\n",
       "      <td>GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRTE...</td>\n",
       "      <td>GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRTE...</td>\n",
       "      <td>GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRTE...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[CYS, CYS, EDO, EDO, EDO, EDO, HOH, HOH, HOH, ...</td>\n",
       "      <td>[164, 259, 310, 310, 313, 313, 472, 563, 564, ...</td>\n",
       "      <td>[disulf, disulf, metalc, metalc, metalc, metal...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, B, ...</td>\n",
       "      <td>[CYS, CYS, NA, NA, NA, NA, NA, NA, NA, GLN, HI...</td>\n",
       "      <td>[101, 203, 302, 302, 303, 303, 301, 301, 302, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>R128E,K177E,D223E,K264E</td>\n",
       "      <td>4</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>48</th>\n",
       "      <td>2</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6iwg</td>\n",
       "      <td>B</td>\n",
       "      <td>AIQRTPKIQVYSRHPPENGKPNFLNCYVSGFHPSDIEVDLLKNGEK...</td>\n",
       "      <td>AIQRTPKIQVYSRHPPENGKPNFLNCYVSGFHPSDIEVDLLKNGEK...</td>\n",
       "      <td>AIQRTPKIQVYSRHPPENGKPNFLNCYVSGFHPSDIEVDLLKNGEK...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18...</td>\n",
       "      <td>0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18...</td>\n",
       "      <td>...</td>\n",
       "      <td>[B, B, B, B, B, B, B, B]</td>\n",
       "      <td>[CYS, HOH, HOH, HOH, HOH, HOH, NA, NA]</td>\n",
       "      <td>[80, 209, 255, 278, 287, 294, 101, 101]</td>\n",
       "      <td>[disulf, metalc, metalc, metalc, metalc, metal...</td>\n",
       "      <td>[B, B, B, B, B, A, B, B]</td>\n",
       "      <td>[CYS, NA, NA, NA, NA, NA, HIS, LEU]</td>\n",
       "      <td>[25, 101, 101, 101, 101, 301, 84, 87]</td>\n",
       "      <td>17.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>49</th>\n",
       "      <td>3</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6iwg</td>\n",
       "      <td>C</td>\n",
       "      <td>XGGAI</td>\n",
       "      <td>XGGAI</td>\n",
       "      <td>XGGAI</td>\n",
       "      <td>1;2;3;4;5</td>\n",
       "      <td>1;2;3;4;5</td>\n",
       "      <td>1;2;3;4;5</td>\n",
       "      <td>...</td>\n",
       "      <td>[C]</td>\n",
       "      <td>[GLY]</td>\n",
       "      <td>[2]</td>\n",
       "      <td>[covale]</td>\n",
       "      <td>[C]</td>\n",
       "      <td>[MYR]</td>\n",
       "      <td>[1]</td>\n",
       "      <td>25.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>50</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6oon</td>\n",
       "      <td>A</td>\n",
       "      <td>GSMEALGPGPPASLFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...</td>\n",
       "      <td>?????????????LFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...</td>\n",
       "      <td>?????????????LFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;12;13;14;15;16;17;18...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>51</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>6oon</td>\n",
       "      <td>B</td>\n",
       "      <td>AAAAAAAAAAUU</td>\n",
       "      <td>AAAAAAAAAAUU</td>\n",
       "      <td>AAAAAAAAAAUU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;15;20;21</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;15;20;21</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>52 rows × 25 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "   entity_id             protein_type pdb_id chain_id  \\\n",
       "0          1           polypeptide(L)   1a5r        A   \n",
       "1          1           polypeptide(L)   1abn        A   \n",
       "2          1           polypeptide(L)   1aii        A   \n",
       "3          1           polypeptide(L)   1aye        A   \n",
       "4          1           polypeptide(L)   1dfv        A   \n",
       "5          1           polypeptide(L)   1dfv        B   \n",
       "6          1           polypeptide(L)   2xyn        A   \n",
       "7          1           polypeptide(L)   2xyn        B   \n",
       "8          1           polypeptide(L)   2xyn        C   \n",
       "9          1           polypeptide(L)   3azm        A   \n",
       "10         1           polypeptide(L)   3azm        E   \n",
       "11         2           polypeptide(L)   3azm        B   \n",
       "12         2           polypeptide(L)   3azm        F   \n",
       "13         3           polypeptide(L)   3azm        C   \n",
       "14         3           polypeptide(L)   3azm        G   \n",
       "15         4           polypeptide(L)   3azm        D   \n",
       "16         4           polypeptide(L)   3azm        H   \n",
       "17         5  polydeoxyribonucleotide   3azm        I   \n",
       "18         5  polydeoxyribonucleotide   3azm        J   \n",
       "19         1           polypeptide(L)   3g8t        A   \n",
       "20         1           polypeptide(L)   3g8t        B   \n",
       "21         1           polypeptide(L)   3g8t        C   \n",
       "22         1           polypeptide(L)   3g8t        D   \n",
       "23         2       polyribonucleotide   3g8t        E   \n",
       "24         2       polyribonucleotide   3g8t        F   \n",
       "25         2       polyribonucleotide   3g8t        G   \n",
       "26         2       polyribonucleotide   3g8t        H   \n",
       "27         3       polyribonucleotide   3g8t        P   \n",
       "28         3       polyribonucleotide   3g8t        Q   \n",
       "29         3       polyribonucleotide   3g8t        R   \n",
       "30         3       polyribonucleotide   3g8t        S   \n",
       "31         1           polypeptide(L)   3g96        A   \n",
       "32         1           polypeptide(L)   3g96        B   \n",
       "33         1           polypeptide(L)   3g96        C   \n",
       "34         1           polypeptide(L)   3g96        D   \n",
       "35         2       polyribonucleotide   3g96        E   \n",
       "36         2       polyribonucleotide   3g96        F   \n",
       "37         2       polyribonucleotide   3g96        G   \n",
       "38         2       polyribonucleotide   3g96        H   \n",
       "39         3       polyribonucleotide   3g96        P   \n",
       "40         3       polyribonucleotide   3g96        Q   \n",
       "41         3       polyribonucleotide   3g96        R   \n",
       "42         3       polyribonucleotide   3g96        S   \n",
       "43         1           polypeptide(L)   6d7s        A   \n",
       "44         1           polypeptide(L)   6d7s        B   \n",
       "45         1           polypeptide(L)   6d7s        C   \n",
       "46         1           polypeptide(L)   6d7s        D   \n",
       "47         1           polypeptide(L)   6iwg        A   \n",
       "48         2           polypeptide(L)   6iwg        B   \n",
       "49         3           polypeptide(L)   6iwg        C   \n",
       "50         1           polypeptide(L)   6oon        A   \n",
       "51         2       polyribonucleotide   6oon        B   \n",
       "\n",
       "                         _pdbx_poly_seq_scheme.mon_id  \\\n",
       "0   GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHL...   \n",
       "1   ASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAH...   \n",
       "2   MASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISILT...   \n",
       "3   LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGET...   \n",
       "4   QDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...   \n",
       "5   QDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...   \n",
       "6   MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...   \n",
       "7   MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...   \n",
       "8   MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...   \n",
       "9   GSHMARTKQTARKSTGGKAPRKQLATKAARKSAPATGGVKKPHRYR...   \n",
       "10  GSHMARTKQTARKSTGGKAPRKQLATKAARKSAPATGGVKKPHRYR...   \n",
       "11  GSHMSGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGG...   \n",
       "12  GSHMSGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGG...   \n",
       "13  GSHMSGRGKQGGKARAKAKTRSSRAGLQFPVGRVHRLLRKGNYSER...   \n",
       "14  GSHMSGRGKQGGKARAKAKTRSSRAGLQFPVGRVHRLLRKGNYSER...   \n",
       "15  GSHMPEPAKSAPAPKKGSKKAVTKAQKKDGKKRKRSRKESYSIYVY...   \n",
       "16  GSHMPEPAKSAPAPKKGSKKAVTKAQKKDGKKRKRSRKESYSIYVY...   \n",
       "17  DADTDCDADADTDADTDCDCDADCDCDTDGDCDADGDADTDTDCDT...   \n",
       "18  DTDTDCDADGDCDTDGDADADCDADTDGDCDCDTDTDTDTDGDADT...   \n",
       "19  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "20  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "21  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "22  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "23                                      AXGCGCCAGAACU   \n",
       "24                                      AXGCGCCAGAACU   \n",
       "25                                      AXGCGCCAGAACU   \n",
       "26                                      AXGCGCCAGAACU   \n",
       "27  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "28  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "29  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "30  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "31  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "32  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "33  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "34  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "35                                      AXGCGCCAGAACU   \n",
       "36                                      AXGCGCCAGAACU   \n",
       "37                                      AXGCGCCAGAACU   \n",
       "38                                      AXGCGCCAGAACU   \n",
       "39  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "40  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "41  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "42  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "43  MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...   \n",
       "44  MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...   \n",
       "45  MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...   \n",
       "46  MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...   \n",
       "47  GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRTE...   \n",
       "48  AIQRTPKIQVYSRHPPENGKPNFLNCYVSGFHPSDIEVDLLKNGEK...   \n",
       "49                                              XGGAI   \n",
       "50  GSMEALGPGPPASLFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...   \n",
       "51                                       AAAAAAAAAAUU   \n",
       "\n",
       "                     _pdbx_poly_seq_scheme.pdb_mon_id  \\\n",
       "0   GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHL...   \n",
       "1   ?SRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAH...   \n",
       "2   ?ASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISILT...   \n",
       "3   LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGET...   \n",
       "4   ????SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...   \n",
       "5   ???TSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...   \n",
       "6   ?????????????????????????KWEMERTDITMKHKLGGGQYG...   \n",
       "7   ?????????????????????????KWEMERTDITMKHKLGGGQYG...   \n",
       "8   ??????????????????????????WEMERTDITMKHKLGGGQYG...   \n",
       "9   ?????????????????????????????????????????PHRYR...   \n",
       "10  ????????????????????????????????????????KPHRYR...   \n",
       "11  ????????????????????????????NIQGITKPAIRRLARRGG...   \n",
       "12  ??????????????????????RKVLRDNIQGITKPAIRRLARRGG...   \n",
       "13  ????????????????KAKTRSSRAGLQFPVGRVHRLLRKGNYSER...   \n",
       "14  ??????????????????KTRSSRAGLQFPVGRVHRLLRKGNYSER...   \n",
       "15  ?????????????????????????????????KRSRKESYSIYVY...   \n",
       "16  ????????????????????????????????????RKESYSIYVY...   \n",
       "17  DADTDCDADADTDADTDCDCDADCDCDTDGDCDADGDADTDTDCDT...   \n",
       "18  DTDTDCDADGDCDTDGDADADCDADTDGDCDCDTDTDTDTDGDADT...   \n",
       "19  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "20  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "21  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "22  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "23                                      AXGCGCCAGAACU   \n",
       "24                                      AXGCGCCAGAACU   \n",
       "25                                      AXGCGCCAGAACU   \n",
       "26                                      AXGCGCCAGAACU   \n",
       "27  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "28  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "29  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "30  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "31  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "32  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "33  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "34  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "35                                      AXGCGCCAGAACU   \n",
       "36                                      AXGCGCCAGAACU   \n",
       "37                                      AXGCGCCAGAACU   \n",
       "38                                      AXGCGCCAGAACU   \n",
       "39  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "40  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "41  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "42  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "43  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "44  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "45  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "46  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "47  GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRTE...   \n",
       "48  AIQRTPKIQVYSRHPPENGKPNFLNCYVSGFHPSDIEVDLLKNGEK...   \n",
       "49                                              XGGAI   \n",
       "50  ?????????????LFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...   \n",
       "51                                       AAAAAAAAAAUU   \n",
       "\n",
       "                    _pdbx_poly_seq_scheme.auth_mon_id  \\\n",
       "0   GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHL...   \n",
       "1   ?SRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAH...   \n",
       "2   ?ASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISILT...   \n",
       "3   LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGET...   \n",
       "4   ????SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...   \n",
       "5   ???TSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...   \n",
       "6   ?????????????????????????KWEMERTDITMKHKLGGGQYG...   \n",
       "7   ?????????????????????????KWEMERTDITMKHKLGGGQYG...   \n",
       "8   ??????????????????????????WEMERTDITMKHKLGGGQYG...   \n",
       "9   ?????????????????????????????????????????PHRYR...   \n",
       "10  ????????????????????????????????????????KPHRYR...   \n",
       "11  ????????????????????????????NIQGITKPAIRRLARRGG...   \n",
       "12  ??????????????????????RKVLRDNIQGITKPAIRRLARRGG...   \n",
       "13  ????????????????KAKTRSSRAGLQFPVGRVHRLLRKGNYSER...   \n",
       "14  ??????????????????KTRSSRAGLQFPVGRVHRLLRKGNYSER...   \n",
       "15  ?????????????????????????????????KRSRKESYSIYVY...   \n",
       "16  ????????????????????????????????????RKESYSIYVY...   \n",
       "17  DADTDCDADADTDADTDCDCDADCDCDTDGDCDADGDADTDTDCDT...   \n",
       "18  DTDTDCDADGDCDTDGDADADCDADTDGDCDCDTDTDTDTDGDADT...   \n",
       "19  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "20  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "21  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "22  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "23                                      AXGCGCCAGAACU   \n",
       "24                                      AXGCGCCAGAACU   \n",
       "25                                      AXGCGCCAGAACU   \n",
       "26                                      AXGCGCCAGAACU   \n",
       "27  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "28  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "29  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "30  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "31  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "32  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "33  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "34  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "35                                      AXGCGCCAGAACU   \n",
       "36                                      AXGCGCCAGAACU   \n",
       "37                                      AXGCGCCAGAACU   \n",
       "38                                      AXGCGCCAGAACU   \n",
       "39  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "40  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "41  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "42  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "43  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "44  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "45  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "46  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "47  GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRTE...   \n",
       "48  AIQRTPKIQVYSRHPPENGKPNFLNCYVSGFHPSDIEVDLLKNGEK...   \n",
       "49                                              XGGAI   \n",
       "50  ?????????????LFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...   \n",
       "51                                       AAAAAAAAAAUU   \n",
       "\n",
       "                    _pdbx_poly_seq_scheme.ndb_seq_num  \\\n",
       "0   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "1   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "2   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "3   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "4   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "5   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "6   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "7   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "8   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "9   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "10  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "11  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "12  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "13  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "14  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "15  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "16  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "17  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "18  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "19  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "20  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "21  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "22  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "23                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "24                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "25                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "26                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "27  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "28  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "29  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "30  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "31  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "32  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "33  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "34  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "35                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "36                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "37                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "38                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "39  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "40  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "41  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "42  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "43  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "44  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "45  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "46  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "47  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "48  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "49                                          1;2;3;4;5   \n",
       "50  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "51                         1;2;3;4;5;6;7;8;9;10;11;12   \n",
       "\n",
       "                    _pdbx_poly_seq_scheme.pdb_seq_num  \\\n",
       "0   -1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17...   \n",
       "1   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "2   2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;...   \n",
       "3   4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;2...   \n",
       "4   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "5   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "6   255;256;257;258;259;260;261;262;263;264;265;26...   \n",
       "7   255;256;257;258;259;260;261;262;263;264;265;26...   \n",
       "8   255;256;257;258;259;260;261;262;263;264;265;26...   \n",
       "9   -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "10  -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "11  -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "12  -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "13  -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "14  -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "15  -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "16  -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "17  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "18  147;148;149;150;151;152;153;154;155;156;157;15...   \n",
       "19  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "20  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "21  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "22  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "23                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "24                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "25                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "26                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "27  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "28  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "29  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "30  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "31  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "32  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "33  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "34  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "35                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "36                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "37                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "38                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "39  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "40  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "41  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "42  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "43  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "44  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "45  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "46  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "47  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "48  0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18...   \n",
       "49                                          1;2;3;4;5   \n",
       "50  -1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17...   \n",
       "51                         1;2;3;4;5;6;7;8;9;15;20;21   \n",
       "\n",
       "                   _pdbx_poly_seq_scheme.auth_seq_num  ...  \\\n",
       "0   -1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17...  ...   \n",
       "1   ?;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "2   ?;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;...  ...   \n",
       "3   4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;2...  ...   \n",
       "4   ?;?;?;?;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "5   ?;?;?;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "6   ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "7   ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "8   ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "9   ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "10  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "11  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "12  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;19...  ...   \n",
       "13  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;13;14;15;16;17...  ...   \n",
       "14  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;15;16;17;1...  ...   \n",
       "15  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "16  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "17  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "18  ?;148;149;150;151;152;153;154;155;156;157;158;...  ...   \n",
       "19  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "20  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "21  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "22  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "23                       -1;0;1;2;3;4;5;6;7;8;9;10;11  ...   \n",
       "24                       -1;0;1;2;3;4;5;6;7;8;9;10;11  ...   \n",
       "25                       -1;0;1;2;3;4;5;6;7;8;9;10;11  ...   \n",
       "26                       -1;0;1;2;3;4;5;6;7;8;9;10;11  ...   \n",
       "27  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...  ...   \n",
       "28  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...  ...   \n",
       "29  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...  ...   \n",
       "30  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...  ...   \n",
       "31  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "32  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "33  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "34  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "35                       -1;0;1;2;3;4;5;6;7;8;9;10;11  ...   \n",
       "36                       -1;0;1;2;3;4;5;6;7;8;9;10;11  ...   \n",
       "37                       -1;0;1;2;3;4;5;6;7;8;9;10;11  ...   \n",
       "38                       -1;0;1;2;3;4;5;6;7;8;9;10;11  ...   \n",
       "39  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...  ...   \n",
       "40  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...  ...   \n",
       "41  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...  ...   \n",
       "42  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...  ...   \n",
       "43  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "44  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "45  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "46  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "47  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...  ...   \n",
       "48  0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18...  ...   \n",
       "49                                          1;2;3;4;5  ...   \n",
       "50  ?;?;?;?;?;?;?;?;?;?;?;?;?;12;13;14;15;16;17;18...  ...   \n",
       "51                         1;2;3;4;5;6;7;8;9;15;20;21  ...   \n",
       "\n",
       "                      _struct_conn.ptnr2_auth_asym_id  \\\n",
       "0                                                 NaN   \n",
       "1                                                 NaN   \n",
       "2   [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "3                               [A, A, A, A, A, A, A]   \n",
       "4                                           [A, A, A]   \n",
       "5                                              [B, B]   \n",
       "6                                     [A, A, A, A, A]   \n",
       "7                                                 NaN   \n",
       "8                                                 NaN   \n",
       "9                                                 NaN   \n",
       "10                                                [E]   \n",
       "11                                                NaN   \n",
       "12                                                NaN   \n",
       "13                                                NaN   \n",
       "14                                                NaN   \n",
       "15                                                NaN   \n",
       "16                                                NaN   \n",
       "17                                       [I, I, I, I]   \n",
       "18  [J, J, J, J, J, J, J, J, J, J, J, J, J, J, J, ...   \n",
       "19                                                NaN   \n",
       "20                                                NaN   \n",
       "21                                                NaN   \n",
       "22                                                NaN   \n",
       "23                                             [E, E]   \n",
       "24                                    [F, F, F, F, F]   \n",
       "25                                             [G, G]   \n",
       "26                                    [H, H, H, H, H]   \n",
       "27  [P, P, P, P, P, P, P, P, P, P, P, P, P, P, P, ...   \n",
       "28  [Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...   \n",
       "29  [R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...   \n",
       "30  [S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...   \n",
       "31                                                NaN   \n",
       "32                                                NaN   \n",
       "33                                                NaN   \n",
       "34                                                NaN   \n",
       "35                                             [E, E]   \n",
       "36                                       [F, F, F, F]   \n",
       "37                                          [G, G, G]   \n",
       "38                                          [H, H, H]   \n",
       "39  [P, P, P, P, P, P, P, P, P, P, P, P, P, P, P, ...   \n",
       "40  [Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...   \n",
       "41  [R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...   \n",
       "42  [S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...   \n",
       "43                                                NaN   \n",
       "44                                                NaN   \n",
       "45                                                NaN   \n",
       "46                                                NaN   \n",
       "47  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "48                           [B, B, B, B, B, B, B, B]   \n",
       "49                                                [C]   \n",
       "50                                                NaN   \n",
       "51                                                NaN   \n",
       "\n",
       "                      _struct_conn.ptnr2_auth_comp_id  \\\n",
       "0                                                 NaN   \n",
       "1                                                 NaN   \n",
       "2   [ARG, ASP, ASP, ETA, GLU, GLU, GLU, GLU, GLU, ...   \n",
       "3                 [CYS, CYS, GLU, GLU, HIS, HIS, HOH]   \n",
       "4                                     [CYS, NAG, NAG]   \n",
       "5                                          [CYS, NDG]   \n",
       "6                           [ARG, HOH, HOH, ILE, THR]   \n",
       "7                                                 NaN   \n",
       "8                                                 NaN   \n",
       "9                                                 NaN   \n",
       "10                                               [MN]   \n",
       "11                                                NaN   \n",
       "12                                                NaN   \n",
       "13                                                NaN   \n",
       "14                                                NaN   \n",
       "15                                                NaN   \n",
       "16                                                NaN   \n",
       "17                                   [MN, MN, MN, MN]   \n",
       "18  [DA, DA, DA, DA, DA, DA, DA, DA, DA, DA, DA, D...   \n",
       "19                                                NaN   \n",
       "20                                                NaN   \n",
       "21                                                NaN   \n",
       "22                                                NaN   \n",
       "23                                           [A2M, G]   \n",
       "24                                 [A, A, A2M, G, MG]   \n",
       "25                                           [A2M, G]   \n",
       "26                                  [A, A, A2M, C, G]   \n",
       "27  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "28  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "29  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "30  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "31                                                NaN   \n",
       "32                                                NaN   \n",
       "33                                                NaN   \n",
       "34                                                NaN   \n",
       "35                                           [A2M, G]   \n",
       "36                                   [A, A2M, G, HOH]   \n",
       "37                                       [A2M, G, MG]   \n",
       "38                                        [A2M, C, G]   \n",
       "39  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "40  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "41  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "42  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "43                                                NaN   \n",
       "44                                                NaN   \n",
       "45                                                NaN   \n",
       "46                                                NaN   \n",
       "47  [CYS, CYS, EDO, EDO, EDO, EDO, HOH, HOH, HOH, ...   \n",
       "48             [CYS, HOH, HOH, HOH, HOH, HOH, NA, NA]   \n",
       "49                                              [GLY]   \n",
       "50                                                NaN   \n",
       "51                                                NaN   \n",
       "\n",
       "                       _struct_conn.ptnr2_auth_seq_id  \\\n",
       "0                                                 NaN   \n",
       "1                                                 NaN   \n",
       "2   [190, 76, 76, 360, 148, 195, 195, 232, 232, 23...   \n",
       "3                    [161, 244, 72, 72, 196, 69, 401]   \n",
       "4                                     [175, 179, 180]   \n",
       "5                                          [175, 178]   \n",
       "6                         [519, 2004, 2006, 449, 452]   \n",
       "7                                                 NaN   \n",
       "8                                                 NaN   \n",
       "9                                                 NaN   \n",
       "10                                             [1001]   \n",
       "11                                                NaN   \n",
       "12                                                NaN   \n",
       "13                                                NaN   \n",
       "14                                                NaN   \n",
       "15                                                NaN   \n",
       "16                                                NaN   \n",
       "17                           [1001, 1001, 1002, 1003]   \n",
       "18  [150, 150, 151, 151, 153, 153, 157, 157, 163, ...   \n",
       "19                                                NaN   \n",
       "20                                                NaN   \n",
       "21                                                NaN   \n",
       "22                                                NaN   \n",
       "23                                             [0, 1]   \n",
       "24                                 [-1, -1, 0, 1, 13]   \n",
       "25                                             [0, 1]   \n",
       "26                                  [-1, -1, 0, 2, 1]   \n",
       "27  [112, 116, 116, 121, 121, 123, 125, 131, 131, ...   \n",
       "28  [112, 112, 116, 121, 121, 123, 130, 130, 131, ...   \n",
       "29  [112, 112, 116, 116, 123, 125, 130, 130, 131, ...   \n",
       "30  [121, 121, 130, 130, 131, 131, 132, 132, 138, ...   \n",
       "31                                                NaN   \n",
       "32                                                NaN   \n",
       "33                                                NaN   \n",
       "34                                                NaN   \n",
       "35                                             [0, 1]   \n",
       "36                                     [-1, 0, 1, 37]   \n",
       "37                                         [0, 1, 12]   \n",
       "38                                          [0, 2, 1]   \n",
       "39  [112, 112, 116, 116, 121, 123, 130, 132, 132, ...   \n",
       "40  [112, 112, 116, 116, 121, 121, 123, 130, 130, ...   \n",
       "41  [112, 112, 116, 116, 121, 121, 123, 130, 130, ...   \n",
       "42  [112, 112, 116, 116, 121, 123, 125, 130, 131, ...   \n",
       "43                                                NaN   \n",
       "44                                                NaN   \n",
       "45                                                NaN   \n",
       "46                                                NaN   \n",
       "47  [164, 259, 310, 310, 313, 313, 472, 563, 564, ...   \n",
       "48            [80, 209, 255, 278, 287, 294, 101, 101]   \n",
       "49                                                [2]   \n",
       "50                                                NaN   \n",
       "51                                                NaN   \n",
       "\n",
       "                            _struct_conn.conn_type_id  \\\n",
       "0                                                 NaN   \n",
       "1                                                 NaN   \n",
       "2   [metalc, metalc, metalc, metalc, metalc, metal...   \n",
       "3   [disulf, disulf, metalc, metalc, metalc, metal...   \n",
       "4                            [disulf, covale, covale]   \n",
       "5                                    [disulf, covale]   \n",
       "6            [metalc, metalc, metalc, metalc, metalc]   \n",
       "7                                                 NaN   \n",
       "8                                                 NaN   \n",
       "9                                                 NaN   \n",
       "10                                           [metalc]   \n",
       "11                                                NaN   \n",
       "12                                                NaN   \n",
       "13                                                NaN   \n",
       "14                                                NaN   \n",
       "15                                                NaN   \n",
       "16                                                NaN   \n",
       "17                   [metalc, metalc, metalc, metalc]   \n",
       "18  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "19                                                NaN   \n",
       "20                                                NaN   \n",
       "21                                                NaN   \n",
       "22                                                NaN   \n",
       "23                                   [covale, covale]   \n",
       "24           [hydrog, hydrog, covale, covale, metalc]   \n",
       "25                                   [covale, covale]   \n",
       "26           [hydrog, hydrog, covale, hydrog, covale]   \n",
       "27  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "28  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "29  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "30  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "31                                                NaN   \n",
       "32                                                NaN   \n",
       "33                                                NaN   \n",
       "34                                                NaN   \n",
       "35                                   [covale, covale]   \n",
       "36                   [hydrog, covale, covale, metalc]   \n",
       "37                           [covale, covale, metalc]   \n",
       "38                           [covale, hydrog, covale]   \n",
       "39  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "40  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "41  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "42  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "43                                                NaN   \n",
       "44                                                NaN   \n",
       "45                                                NaN   \n",
       "46                                                NaN   \n",
       "47  [disulf, disulf, metalc, metalc, metalc, metal...   \n",
       "48  [disulf, metalc, metalc, metalc, metalc, metal...   \n",
       "49                                           [covale]   \n",
       "50                                                NaN   \n",
       "51                                                NaN   \n",
       "\n",
       "                      _struct_conn.ptnr1_auth_asym_id  \\\n",
       "0                                                 NaN   \n",
       "1                                                 NaN   \n",
       "2   [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "3                               [A, A, A, A, A, A, A]   \n",
       "4                                           [A, A, A]   \n",
       "5                                              [B, B]   \n",
       "6                                     [A, A, A, A, A]   \n",
       "7                                                 NaN   \n",
       "8                                                 NaN   \n",
       "9                                                 NaN   \n",
       "10                                                [E]   \n",
       "11                                                NaN   \n",
       "12                                                NaN   \n",
       "13                                                NaN   \n",
       "14                                                NaN   \n",
       "15                                                NaN   \n",
       "16                                                NaN   \n",
       "17                                       [I, I, I, I]   \n",
       "18  [I, I, I, I, I, I, I, I, I, I, I, I, I, I, I, ...   \n",
       "19                                                NaN   \n",
       "20                                                NaN   \n",
       "21                                                NaN   \n",
       "22                                                NaN   \n",
       "23                                             [E, E]   \n",
       "24                                    [E, P, F, F, F]   \n",
       "25                                             [G, G]   \n",
       "26                                    [G, R, H, G, H]   \n",
       "27  [P, P, P, P, P, P, P, P, P, P, P, P, P, P, E, ...   \n",
       "28  [Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, F, F, Q, ...   \n",
       "29  [R, R, R, R, R, R, R, R, R, R, R, R, R, R, G, ...   \n",
       "30  [S, S, S, S, S, S, S, S, S, S, S, H, H, S, S, ...   \n",
       "31                                                NaN   \n",
       "32                                                NaN   \n",
       "33                                                NaN   \n",
       "34                                                NaN   \n",
       "35                                             [E, E]   \n",
       "36                                       [E, F, F, Q]   \n",
       "37                                          [G, G, G]   \n",
       "38                                          [H, G, H]   \n",
       "39  [P, P, P, P, P, P, P, P, P, P, P, P, E, E, P, ...   \n",
       "40  [Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...   \n",
       "41  [R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...   \n",
       "42  [S, S, S, S, S, S, S, S, S, S, H, H, S, S, S, ...   \n",
       "43                                                NaN   \n",
       "44                                                NaN   \n",
       "45                                                NaN   \n",
       "46                                                NaN   \n",
       "47  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, B, ...   \n",
       "48                           [B, B, B, B, B, A, B, B]   \n",
       "49                                                [C]   \n",
       "50                                                NaN   \n",
       "51                                                NaN   \n",
       "\n",
       "                      _struct_conn.ptnr1_auth_comp_id  \\\n",
       "0                                                 NaN   \n",
       "1                                                 NaN   \n",
       "2   [CA, CA, CA, CA, CA, CA, CA, CA, CA, CA, CA, C...   \n",
       "3                      [CYS, CYS, ZN, ZN, ZN, ZN, ZN]   \n",
       "4                                     [CYS, ASN, NAG]   \n",
       "5                                          [CYS, ASN]   \n",
       "6                                [NA, NA, NA, NA, NA]   \n",
       "7                                                 NaN   \n",
       "8                                                 NaN   \n",
       "9                                                 NaN   \n",
       "10                                              [ASP]   \n",
       "11                                                NaN   \n",
       "12                                                NaN   \n",
       "13                                                NaN   \n",
       "14                                                NaN   \n",
       "15                                                NaN   \n",
       "16                                                NaN   \n",
       "17                                   [DG, DG, DG, DA]   \n",
       "18  [DT, DT, DT, DT, DT, DT, DT, DT, DC, DT, DT, D...   \n",
       "19                                                NaN   \n",
       "20                                                NaN   \n",
       "21                                                NaN   \n",
       "22                                                NaN   \n",
       "23                                           [A, A2M]   \n",
       "24                                  [C, G, A, A2M, C]   \n",
       "25                                           [A, A2M]   \n",
       "26                                  [C, G, A, A, A2M]   \n",
       "27  [G, U, U, A, A, G, U, U, U, U, U, U, U, U, U, ...   \n",
       "28  [G, G, U, A, A, G, U, U, U, U, U, U, U, U, U, ...   \n",
       "29  [G, G, U, U, G, U, U, U, U, U, U, U, U, U, U, ...   \n",
       "30  [A, A, U, U, U, U, U, U, U, U, U, U, U, U, U, ...   \n",
       "31                                                NaN   \n",
       "32                                                NaN   \n",
       "33                                                NaN   \n",
       "34                                                NaN   \n",
       "35                                           [A, A2M]   \n",
       "36                                    [C, A, A2M, MG]   \n",
       "37                                        [A, A2M, C]   \n",
       "38                                        [A, A, A2M]   \n",
       "39  [G, G, U, U, A, G, U, U, U, U, U, U, U, U, U, ...   \n",
       "40  [G, G, U, U, A, A, G, U, U, U, U, U, U, U, U, ...   \n",
       "41  [G, G, U, U, A, A, G, U, U, U, U, U, U, A, U, ...   \n",
       "42  [G, G, U, U, A, G, U, U, U, U, U, U, U, U, U, ...   \n",
       "43                                                NaN   \n",
       "44                                                NaN   \n",
       "45                                                NaN   \n",
       "46                                                NaN   \n",
       "47  [CYS, CYS, NA, NA, NA, NA, NA, NA, NA, GLN, HI...   \n",
       "48                [CYS, NA, NA, NA, NA, NA, HIS, LEU]   \n",
       "49                                              [MYR]   \n",
       "50                                                NaN   \n",
       "51                                                NaN   \n",
       "\n",
       "                       _struct_conn.ptnr1_auth_seq_id  \\\n",
       "0                                                 NaN   \n",
       "1                                                 NaN   \n",
       "2   [353, 351, 351, 355, 357, 355, 355, 353, 353, ...   \n",
       "3                 [138, 210, 400, 400, 400, 400, 400]   \n",
       "4                                       [76, 65, 179]   \n",
       "5                                            [76, 65]   \n",
       "6                                 [549, 1, 549, 1, 1]   \n",
       "7                                                 NaN   \n",
       "8                                                 NaN   \n",
       "9                                                 NaN   \n",
       "10                                               [77]   \n",
       "11                                                NaN   \n",
       "12                                                NaN   \n",
       "13                                                NaN   \n",
       "14                                                NaN   \n",
       "15                                                NaN   \n",
       "16                                                NaN   \n",
       "17                               [100, 100, 121, 133]   \n",
       "18  [143, 143, 142, 142, 140, 140, 136, 136, 129, ...   \n",
       "19                                                NaN   \n",
       "20                                                NaN   \n",
       "21                                                NaN   \n",
       "22                                                NaN   \n",
       "23                                            [-1, 0]   \n",
       "24                                  [2, 56, -1, 0, 2]   \n",
       "25                                            [-1, 0]   \n",
       "26                                 [2, 56, -1, -1, 0]   \n",
       "27  [24, 105, 105, 100, 100, 30, 97, 91, 91, 92, 9...   \n",
       "28  [109, 24, 105, 100, 100, 30, 92, 92, 91, 91, 9...   \n",
       "29  [109, 24, 105, 105, 30, 97, 92, 92, 91, 91, 90...   \n",
       "30  [100, 100, 92, 92, 91, 91, 90, 90, 76, 76, 73,...   \n",
       "31                                                NaN   \n",
       "32                                                NaN   \n",
       "33                                                NaN   \n",
       "34                                                NaN   \n",
       "35                                            [-1, 0]   \n",
       "36                                      [2, -1, 0, 2]   \n",
       "37                                         [-1, 0, 2]   \n",
       "38                                        [-1, -1, 0]   \n",
       "39  [109, 24, 105, 105, 100, 30, 92, 90, 90, 76, 7...   \n",
       "40  [109, 24, 105, 105, 100, 100, 30, 92, 92, 91, ...   \n",
       "41  [109, 24, 105, 105, 100, 100, 30, 92, 92, 91, ...   \n",
       "42  [109, 24, 105, 105, 100, 30, 96, 92, 91, 76, 1...   \n",
       "43                                                NaN   \n",
       "44                                                NaN   \n",
       "45                                                NaN   \n",
       "46                                                NaN   \n",
       "47  [101, 203, 302, 302, 303, 303, 301, 301, 302, ...   \n",
       "48              [25, 101, 101, 101, 101, 301, 84, 87]   \n",
       "49                                                [1]   \n",
       "50                                                NaN   \n",
       "51                                                NaN   \n",
       "\n",
       "   _struct_conn.ptnr2_auth_asym_id_index         mutation_content mutation_num  \n",
       "0                                    NaN                        ?            0  \n",
       "1                                    NaN                        ?            0  \n",
       "2                                    0.0                        ?            0  \n",
       "3                                    0.0                        ?            0  \n",
       "4                                    0.0                        ?            0  \n",
       "5                                    3.0                        ?            0  \n",
       "6                                    0.0                        ?            0  \n",
       "7                                    NaN                        ?            0  \n",
       "8                                    NaN                        ?            0  \n",
       "9                                    NaN                        ?            0  \n",
       "10                                   0.0                        ?            0  \n",
       "11                                   NaN                     K79Q            1  \n",
       "12                                   NaN                     K79Q            1  \n",
       "13                                   NaN                        ?            0  \n",
       "14                                   NaN                        ?            0  \n",
       "15                                   NaN                        ?            0  \n",
       "16                                   NaN                        ?            0  \n",
       "17                                   1.0                        ?            0  \n",
       "18                                   5.0                        ?            0  \n",
       "19                                   NaN                Y31H,Q36R            2  \n",
       "20                                   NaN                Y31H,Q36R            2  \n",
       "21                                   NaN                Y31H,Q36R            2  \n",
       "22                                   NaN                Y31H,Q36R            2  \n",
       "23                                   0.0                        ?            0  \n",
       "24                                   2.0                        ?            0  \n",
       "25                                   7.0                        ?            0  \n",
       "26                                   9.0                        ?            0  \n",
       "27                                  14.0                        ?            0  \n",
       "28                                 138.0                        ?            0  \n",
       "29                                 274.0                        ?            0  \n",
       "30                                 403.0                        ?            0  \n",
       "31                                   NaN                Y31H,Q36R            2  \n",
       "32                                   NaN                Y31H,Q36R            2  \n",
       "33                                   NaN                Y31H,Q36R            2  \n",
       "34                                   NaN                Y31H,Q36R            2  \n",
       "35                                   0.0                        ?            0  \n",
       "36                                   2.0                        ?            0  \n",
       "37                                   6.0                        ?            0  \n",
       "38                                   9.0                        ?            0  \n",
       "39                                  12.0                        ?            0  \n",
       "40                                 138.0                        ?            0  \n",
       "41                                 284.0                        ?            0  \n",
       "42                                 430.0                        ?            0  \n",
       "43                                   NaN                    Y467A            1  \n",
       "44                                   NaN                    Y467A            1  \n",
       "45                                   NaN                    Y467A            1  \n",
       "46                                   NaN                    Y467A            1  \n",
       "47                                   0.0  R128E,K177E,D223E,K264E            4  \n",
       "48                                  17.0                        ?            0  \n",
       "49                                  25.0                        ?            0  \n",
       "50                                   NaN                        ?            0  \n",
       "51                                   NaN                        ?            0  \n",
       "\n",
       "[52 rows x 25 columns]"
      ]
     },
     "execution_count": 29,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# df_1 = pd.merge(basic_df, ligand_df, how='left')\n",
    "# df_2 = pd.merge(new_type_poly_df, df_1, how='left')\n",
    "df_3 = pd.merge(df_2, entity_poly_df, how='left')\n",
    "df_3"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 30,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "entity_id                                 0\n",
       "protein_type                              0\n",
       "pdb_id                                    0\n",
       "chain_id                                  0\n",
       "_pdbx_poly_seq_scheme.mon_id              0\n",
       "_pdbx_poly_seq_scheme.pdb_mon_id          0\n",
       "_pdbx_poly_seq_scheme.auth_mon_id         0\n",
       "_pdbx_poly_seq_scheme.ndb_seq_num         0\n",
       "_pdbx_poly_seq_scheme.pdb_seq_num         0\n",
       "_pdbx_poly_seq_scheme.auth_seq_num        0\n",
       "_pdbx_poly_seq_scheme.pdb_ins_code        0\n",
       "method                                    0\n",
       "initial_version_time                      0\n",
       "newest_version_time                       0\n",
       "resolution                                1\n",
       "_struct_conn.ptnr2_auth_asym_id          25\n",
       "_struct_conn.ptnr2_auth_comp_id          25\n",
       "_struct_conn.ptnr2_auth_seq_id           25\n",
       "_struct_conn.conn_type_id                25\n",
       "_struct_conn.ptnr1_auth_asym_id          25\n",
       "_struct_conn.ptnr1_auth_comp_id          25\n",
       "_struct_conn.ptnr1_auth_seq_id           25\n",
       "_struct_conn.ptnr2_auth_asym_id_index    25\n",
       "mutation_content                          0\n",
       "mutation_num                              0\n",
       "dtype: int64"
      ]
     },
     "execution_count": 30,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_3.isnull().sum()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": 36,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>_pdbx_poly_seq_scheme.pdb_strand_id</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
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       "      <td>[A]</td>\n",
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       "      <th>4</th>\n",
       "      <td>[A, B]</td>\n",
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       "      <th>5</th>\n",
       "      <td>[A, B, C]</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>[A, B, C, D, E, F, G, H, I, J]</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>[A, E, P, B, F, Q, C, G, R, D, H, S]</td>\n",
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       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>[A, E, P, B, F, Q, C, G, R, D, H, S]</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>[A, B, C, D]</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>[A, B, C]</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>[A, B]</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "     _pdbx_poly_seq_scheme.pdb_strand_id\n",
       "0                                    [A]\n",
       "1                                    [A]\n",
       "2                                    [A]\n",
       "3                                    [A]\n",
       "4                                 [A, B]\n",
       "5                              [A, B, C]\n",
       "6         [A, B, C, D, E, F, G, H, I, J]\n",
       "7   [A, E, P, B, F, Q, C, G, R, D, H, S]\n",
       "8   [A, E, P, B, F, Q, C, G, R, D, H, S]\n",
       "9                           [A, B, C, D]\n",
       "10                             [A, B, C]\n",
       "11                                [A, B]"
      ]
     },
     "execution_count": 36,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df[['_pdbx_poly_seq_scheme.pdb_strand_id']]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "['polypeptide(L)',\n",
       " 'polypeptide(L)',\n",
       " 'polypeptide(L)',\n",
       " 'polypeptide(L)',\n",
       " 'polydeoxyribonucleotide']"
      ]
     },
     "execution_count": 8,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df.loc[6,'_entity_poly.type']"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "['A,E', 'B,F', 'C,G', 'D,H', 'I,J']"
      ]
     },
     "execution_count": 9,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df.loc[6,'_entity_poly.pdbx_strand_id']"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 69,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "['1']"
      ]
     },
     "execution_count": 69,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df.loc[0,'_entity_poly.entity_id']"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "metadata": {
    "collapsed": true
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "['A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;B;C;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.']"
      ]
     },
     "execution_count": 17,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df.loc[6,'_pdbx_poly_seq_scheme.pdb_ins_code']"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 104,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>_entity.pdbx_mutation</th>\n",
       "      <th>mutation_num</th>\n",
       "      <th>_entity.id</th>\n",
       "      <th>pdb_id</th>\n",
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       "  <tbody>\n",
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       "      <th>0</th>\n",
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       "      <th>1</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
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       "      <td>2</td>\n",
       "      <td>1aii</td>\n",
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       "      <th>5</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>3</td>\n",
       "      <td>1aii</td>\n",
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       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>4</td>\n",
       "      <td>1aii</td>\n",
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       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>5</td>\n",
       "      <td>1aii</td>\n",
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       "      <th>8</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>1aye</td>\n",
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       "      <th>9</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>2</td>\n",
       "      <td>1aye</td>\n",
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       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>3</td>\n",
       "      <td>1aye</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>1dfv</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>2</td>\n",
       "      <td>1dfv</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>3</td>\n",
       "      <td>1dfv</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>4</td>\n",
       "      <td>1dfv</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>5</td>\n",
       "      <td>1dfv</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>2xyn</td>\n",
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       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>2</td>\n",
       "      <td>2xyn</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>3</td>\n",
       "      <td>2xyn</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>19</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>4</td>\n",
       "      <td>2xyn</td>\n",
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       "    <tr>\n",
       "      <th>20</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>5</td>\n",
       "      <td>2xyn</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>21</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>3azm</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>22</th>\n",
       "      <td>K79Q</td>\n",
       "      <td>1</td>\n",
       "      <td>2</td>\n",
       "      <td>3azm</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>23</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>3</td>\n",
       "      <td>3azm</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>24</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>4</td>\n",
       "      <td>3azm</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>25</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>5</td>\n",
       "      <td>3azm</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>26</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>6</td>\n",
       "      <td>3azm</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>27</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>7</td>\n",
       "      <td>3azm</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>28</th>\n",
       "      <td>Y31H,Q36R</td>\n",
       "      <td>2</td>\n",
       "      <td>1</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>29</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>2</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>30</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>3</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>31</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>4</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>32</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>5</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>33</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>6</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>34</th>\n",
       "      <td>Y31H,Q36R</td>\n",
       "      <td>2</td>\n",
       "      <td>1</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>35</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>2</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>36</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>3</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>37</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>4</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>38</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>5</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>39</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>6</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>40</th>\n",
       "      <td>Y467A</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>6d7s</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>41</th>\n",
       "      <td>R128E,K177E,D223E,K264E</td>\n",
       "      <td>4</td>\n",
       "      <td>1</td>\n",
       "      <td>6iwg</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>42</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>2</td>\n",
       "      <td>6iwg</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>43</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>3</td>\n",
       "      <td>6iwg</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>44</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>4</td>\n",
       "      <td>6iwg</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>45</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>5</td>\n",
       "      <td>6iwg</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>46</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>6</td>\n",
       "      <td>6iwg</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>47</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>7</td>\n",
       "      <td>6iwg</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>48</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>6oon</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>49</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>2</td>\n",
       "      <td>6oon</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>50</th>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "      <td>3</td>\n",
       "      <td>6oon</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "      _entity.pdbx_mutation  mutation_num _entity.id pdb_id\n",
       "0                         ?             0          1   1a5r\n",
       "1                         ?             0          1   1abn\n",
       "2                         ?             0          2   1abn\n",
       "3                         ?             0          1   1aii\n",
       "4                         ?             0          2   1aii\n",
       "5                         ?             0          3   1aii\n",
       "6                         ?             0          4   1aii\n",
       "7                         ?             0          5   1aii\n",
       "8                         ?             0          1   1aye\n",
       "9                         ?             0          2   1aye\n",
       "10                        ?             0          3   1aye\n",
       "11                        ?             0          1   1dfv\n",
       "12                        ?             0          2   1dfv\n",
       "13                        ?             0          3   1dfv\n",
       "14                        ?             0          4   1dfv\n",
       "15                        ?             0          5   1dfv\n",
       "16                        ?             0          1   2xyn\n",
       "17                        ?             0          2   2xyn\n",
       "18                        ?             0          3   2xyn\n",
       "19                        ?             0          4   2xyn\n",
       "20                        ?             0          5   2xyn\n",
       "21                        ?             0          1   3azm\n",
       "22                     K79Q             1          2   3azm\n",
       "23                        ?             0          3   3azm\n",
       "24                        ?             0          4   3azm\n",
       "25                        ?             0          5   3azm\n",
       "26                        ?             0          6   3azm\n",
       "27                        ?             0          7   3azm\n",
       "28                Y31H,Q36R             2          1   3g8t\n",
       "29                        ?             0          2   3g8t\n",
       "30                        ?             0          3   3g8t\n",
       "31                        ?             0          4   3g8t\n",
       "32                        ?             0          5   3g8t\n",
       "33                        ?             0          6   3g8t\n",
       "34                Y31H,Q36R             2          1   3g96\n",
       "35                        ?             0          2   3g96\n",
       "36                        ?             0          3   3g96\n",
       "37                        ?             0          4   3g96\n",
       "38                        ?             0          5   3g96\n",
       "39                        ?             0          6   3g96\n",
       "40                    Y467A             1          1   6d7s\n",
       "41  R128E,K177E,D223E,K264E             4          1   6iwg\n",
       "42                        ?             0          2   6iwg\n",
       "43                        ?             0          3   6iwg\n",
       "44                        ?             0          4   6iwg\n",
       "45                        ?             0          5   6iwg\n",
       "46                        ?             0          6   6iwg\n",
       "47                        ?             0          7   6iwg\n",
       "48                        ?             0          1   6oon\n",
       "49                        ?             0          2   6oon\n",
       "50                        ?             0          3   6oon"
      ]
     },
     "execution_count": 104,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "def getEntityDf(df, i):\n",
    "    entity_poly_col_li = ['_entity.pdbx_mutation', 'mutation_num', '_entity.id']\n",
    "    pdb = df.loc[i, 'pdb_id']\n",
    "    \n",
    "    try:\n",
    "        a = pd.DataFrame({key: df.loc[i,key] for key in entity_poly_col_li})\n",
    "    except Exception as e:\n",
    "        print(pdb, e)\n",
    "        a = pd.DataFrame({key: [df.loc[i,key]] for key in entity_poly_col_li})\n",
    "    a['pdb_id'] = pdb\n",
    "    return a\n",
    "\n",
    "entity_df_li = []\n",
    "for i in df.index:\n",
    "    entity_df_li.append(getEntityDf(df, i))\n",
    "entity_poly_df = pd.concat(entity_df_li, ignore_index=True)\n",
    "\n",
    "entity_poly_df"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 102,
   "metadata": {
    "scrolled": true
   },
   "outputs": [],
   "source": [
    "def getTypeDf(df, i):\n",
    "    type_poly_col_li = ['_entity_poly.entity_id', '_entity_poly.pdbx_strand_id' , '_entity_poly.type']\n",
    "    pdb = df.loc[i, 'pdb_id']\n",
    "    \n",
    "    try:\n",
    "        a = pd.DataFrame({key: df.loc[i,key] for key in type_poly_col_li})\n",
    "    except Exception as e:\n",
    "        print(pdb, e)\n",
    "        a = pd.DataFrame({key: [df.loc[i,key]] for key in type_poly_col_li})\n",
    "    a['pdb_id'] = pdb\n",
    "    return a\n",
    "\n",
    "type_df_li = []\n",
    "for i in df.index:\n",
    "    type_df_li.append(getTypeDf(df, i))\n",
    "type_poly_df = pd.concat(type_df_li, ignore_index=True)\n",
    "\n",
    "new_type_poly_df = type_poly_df.drop('_entity_poly.pdbx_strand_id', axis=1).join(type_poly_df['_entity_poly.pdbx_strand_id'].str.split(',', expand=True).stack().reset_index(level=1, drop=True).rename('chain_id'))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 103,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>_entity_poly.entity_id</th>\n",
       "      <th>_entity_poly.type</th>\n",
       "      <th>pdb_id</th>\n",
       "      <th>chain_id</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>1a5r</td>\n",
       "      <td>A</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>1abn</td>\n",
       "      <td>A</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>1aii</td>\n",
       "      <td>A</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>1aye</td>\n",
       "      <td>A</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>1dfv</td>\n",
       "      <td>A</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>1dfv</td>\n",
       "      <td>B</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>2xyn</td>\n",
       "      <td>A</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>2xyn</td>\n",
       "      <td>B</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>2xyn</td>\n",
       "      <td>C</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>A</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>E</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>2</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>B</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>2</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>F</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>3</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>C</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>3</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>G</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>4</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>D</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>4</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3azm</td>\n",
       "      <td>H</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>5</td>\n",
       "      <td>polydeoxyribonucleotide</td>\n",
       "      <td>3azm</td>\n",
       "      <td>I</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>5</td>\n",
       "      <td>polydeoxyribonucleotide</td>\n",
       "      <td>3azm</td>\n",
       "      <td>J</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>A</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>B</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>C</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>D</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>E</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>F</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>G</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>H</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>P</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>Q</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>R</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>S</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g96</td>\n",
       "      <td>A</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g96</td>\n",
       "      <td>B</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g96</td>\n",
       "      <td>C</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>3g96</td>\n",
       "      <td>D</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>E</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>F</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>G</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>H</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>P</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>Q</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>R</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>3</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>3g96</td>\n",
       "      <td>S</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6d7s</td>\n",
       "      <td>A</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6d7s</td>\n",
       "      <td>B</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6d7s</td>\n",
       "      <td>C</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6d7s</td>\n",
       "      <td>D</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6iwg</td>\n",
       "      <td>A</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>19</th>\n",
       "      <td>2</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6iwg</td>\n",
       "      <td>B</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>20</th>\n",
       "      <td>3</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6iwg</td>\n",
       "      <td>C</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>21</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6oon</td>\n",
       "      <td>A</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>22</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>6oon</td>\n",
       "      <td>B</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "   _entity_poly.entity_id        _entity_poly.type pdb_id chain_id\n",
       "0                       1           polypeptide(L)   1a5r        A\n",
       "1                       1           polypeptide(L)   1abn        A\n",
       "2                       1           polypeptide(L)   1aii        A\n",
       "3                       1           polypeptide(L)   1aye        A\n",
       "4                       1           polypeptide(L)   1dfv        A\n",
       "4                       1           polypeptide(L)   1dfv        B\n",
       "5                       1           polypeptide(L)   2xyn        A\n",
       "5                       1           polypeptide(L)   2xyn        B\n",
       "5                       1           polypeptide(L)   2xyn        C\n",
       "6                       1           polypeptide(L)   3azm        A\n",
       "6                       1           polypeptide(L)   3azm        E\n",
       "7                       2           polypeptide(L)   3azm        B\n",
       "7                       2           polypeptide(L)   3azm        F\n",
       "8                       3           polypeptide(L)   3azm        C\n",
       "8                       3           polypeptide(L)   3azm        G\n",
       "9                       4           polypeptide(L)   3azm        D\n",
       "9                       4           polypeptide(L)   3azm        H\n",
       "10                      5  polydeoxyribonucleotide   3azm        I\n",
       "10                      5  polydeoxyribonucleotide   3azm        J\n",
       "11                      1           polypeptide(L)   3g8t        A\n",
       "11                      1           polypeptide(L)   3g8t        B\n",
       "11                      1           polypeptide(L)   3g8t        C\n",
       "11                      1           polypeptide(L)   3g8t        D\n",
       "12                      2       polyribonucleotide   3g8t        E\n",
       "12                      2       polyribonucleotide   3g8t        F\n",
       "12                      2       polyribonucleotide   3g8t        G\n",
       "12                      2       polyribonucleotide   3g8t        H\n",
       "13                      3       polyribonucleotide   3g8t        P\n",
       "13                      3       polyribonucleotide   3g8t        Q\n",
       "13                      3       polyribonucleotide   3g8t        R\n",
       "13                      3       polyribonucleotide   3g8t        S\n",
       "14                      1           polypeptide(L)   3g96        A\n",
       "14                      1           polypeptide(L)   3g96        B\n",
       "14                      1           polypeptide(L)   3g96        C\n",
       "14                      1           polypeptide(L)   3g96        D\n",
       "15                      2       polyribonucleotide   3g96        E\n",
       "15                      2       polyribonucleotide   3g96        F\n",
       "15                      2       polyribonucleotide   3g96        G\n",
       "15                      2       polyribonucleotide   3g96        H\n",
       "16                      3       polyribonucleotide   3g96        P\n",
       "16                      3       polyribonucleotide   3g96        Q\n",
       "16                      3       polyribonucleotide   3g96        R\n",
       "16                      3       polyribonucleotide   3g96        S\n",
       "17                      1           polypeptide(L)   6d7s        A\n",
       "17                      1           polypeptide(L)   6d7s        B\n",
       "17                      1           polypeptide(L)   6d7s        C\n",
       "17                      1           polypeptide(L)   6d7s        D\n",
       "18                      1           polypeptide(L)   6iwg        A\n",
       "19                      2           polypeptide(L)   6iwg        B\n",
       "20                      3           polypeptide(L)   6iwg        C\n",
       "21                      1           polypeptide(L)   6oon        A\n",
       "22                      2       polyribonucleotide   6oon        B"
      ]
     },
     "execution_count": 103,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "new_type_poly_df"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 94,
   "metadata": {
    "scrolled": true
   },
   "outputs": [],
   "source": [
    "def getBasicDfrm(df, i):\n",
    "    common_col_list = ['pdb_id', 'method', 'initial_version_time', 'newest_version_time', 'resolution']\n",
    "    spe_col_list = ['_pdbx_poly_seq_scheme.mon_id', '_pdbx_poly_seq_scheme.ndb_seq_num',\n",
    "                             '_pdbx_poly_seq_scheme.pdb_seq_num', '_pdbx_poly_seq_scheme.auth_seq_num',\n",
    "                             '_pdbx_poly_seq_scheme.pdb_mon_id', '_pdbx_poly_seq_scheme.auth_mon_id',\n",
    "                             '_pdbx_poly_seq_scheme.pdb_strand_id', '_pdbx_poly_seq_scheme.pdb_ins_code']\n",
    "    \n",
    "    a = pd.DataFrame({key: df.loc[i, key] for key in spe_col_list})\n",
    "    for common_col in common_col_list:\n",
    "        a[common_col] = df.loc[i, common_col]\n",
    "    \n",
    "    return a\n",
    "\n",
    "df_li = []\n",
    "for i in df.index:\n",
    "    df_li.append(getBasicDfrm(df,i))\n",
    "\n",
    "basic_dfrm = pd.concat(df_li,ignore_index=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 95,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
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       "        vertical-align: middle;\n",
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       "        vertical-align: top;\n",
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       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>_pdbx_poly_seq_scheme.mon_id</th>\n",
       "      <th>_pdbx_poly_seq_scheme.ndb_seq_num</th>\n",
       "      <th>_pdbx_poly_seq_scheme.pdb_seq_num</th>\n",
       "      <th>_pdbx_poly_seq_scheme.auth_seq_num</th>\n",
       "      <th>_pdbx_poly_seq_scheme.pdb_mon_id</th>\n",
       "      <th>_pdbx_poly_seq_scheme.auth_mon_id</th>\n",
       "      <th>_pdbx_poly_seq_scheme.pdb_strand_id</th>\n",
       "      <th>_pdbx_poly_seq_scheme.pdb_ins_code</th>\n",
       "      <th>pdb_id</th>\n",
       "      <th>method</th>\n",
       "      <th>initial_version_time</th>\n",
       "      <th>newest_version_time</th>\n",
       "      <th>resolution</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHL...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17...</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17...</td>\n",
       "      <td>GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHL...</td>\n",
       "      <td>GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHL...</td>\n",
       "      <td>A</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>1a5r</td>\n",
       "      <td>SOLUTION NMR</td>\n",
       "      <td>1998-10-14</td>\n",
       "      <td>2011-07-13</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>ASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAH...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?SRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAH...</td>\n",
       "      <td>?SRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAH...</td>\n",
       "      <td>A</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>1abn</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>1994-01-31</td>\n",
       "      <td>2017-11-29</td>\n",
       "      <td>2.4</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>MASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISILT...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;...</td>\n",
       "      <td>?;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;...</td>\n",
       "      <td>?ASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISILT...</td>\n",
       "      <td>?ASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISILT...</td>\n",
       "      <td>A</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>1aii</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>1997-03-12</td>\n",
       "      <td>2011-07-13</td>\n",
       "      <td>1.95</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGET...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;2...</td>\n",
       "      <td>4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;2...</td>\n",
       "      <td>LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGET...</td>\n",
       "      <td>LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGET...</td>\n",
       "      <td>A</td>\n",
       "      <td>A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;...</td>\n",
       "      <td>1aye</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>1999-01-13</td>\n",
       "      <td>2011-07-13</td>\n",
       "      <td>1.8</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>QDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>????SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...</td>\n",
       "      <td>????SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...</td>\n",
       "      <td>A</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>1dfv</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2000-03-06</td>\n",
       "      <td>2011-11-16</td>\n",
       "      <td>2.60</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>QDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>???TSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...</td>\n",
       "      <td>???TSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...</td>\n",
       "      <td>B</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>1dfv</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2000-03-06</td>\n",
       "      <td>2011-11-16</td>\n",
       "      <td>2.60</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>255;256;257;258;259;260;261;262;263;264;265;26...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>?????????????????????????KWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>?????????????????????????KWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>A</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>2xyn</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2010-12-01</td>\n",
       "      <td>2019-04-03</td>\n",
       "      <td>2.81</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>255;256;257;258;259;260;261;262;263;264;265;26...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>?????????????????????????KWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>?????????????????????????KWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>B</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>2xyn</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2010-12-01</td>\n",
       "      <td>2019-04-03</td>\n",
       "      <td>2.81</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>255;256;257;258;259;260;261;262;263;264;265;26...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>??????????????????????????WEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>??????????????????????????WEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>C</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>2xyn</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2010-12-01</td>\n",
       "      <td>2019-04-03</td>\n",
       "      <td>2.81</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>GSHMARTKQTARKSTGGKAPRKQLATKAARKSAPATGGVKKPHRYR...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>?????????????????????????????????????????PHRYR...</td>\n",
       "      <td>?????????????????????????????????????????PHRYR...</td>\n",
       "      <td>A</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>3azm</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2011-09-21</td>\n",
       "      <td>2012-08-15</td>\n",
       "      <td>2.89</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>GSHMSGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGG...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>????????????????????????????NIQGITKPAIRRLARRGG...</td>\n",
       "      <td>????????????????????????????NIQGITKPAIRRLARRGG...</td>\n",
       "      <td>B</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>3azm</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2011-09-21</td>\n",
       "      <td>2012-08-15</td>\n",
       "      <td>2.89</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>GSHMSGRGKQGGKARAKAKTRSSRAGLQFPVGRVHRLLRKGNYSER...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;13;14;15;16;17...</td>\n",
       "      <td>????????????????KAKTRSSRAGLQFPVGRVHRLLRKGNYSER...</td>\n",
       "      <td>????????????????KAKTRSSRAGLQFPVGRVHRLLRKGNYSER...</td>\n",
       "      <td>C</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>3azm</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2011-09-21</td>\n",
       "      <td>2012-08-15</td>\n",
       "      <td>2.89</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>GSHMPEPAKSAPAPKKGSKKAVTKAQKKDGKKRKRSRKESYSIYVY...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>?????????????????????????????????KRSRKESYSIYVY...</td>\n",
       "      <td>?????????????????????????????????KRSRKESYSIYVY...</td>\n",
       "      <td>D</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>3azm</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2011-09-21</td>\n",
       "      <td>2012-08-15</td>\n",
       "      <td>2.89</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>GSHMARTKQTARKSTGGKAPRKQLATKAARKSAPATGGVKKPHRYR...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>????????????????????????????????????????KPHRYR...</td>\n",
       "      <td>????????????????????????????????????????KPHRYR...</td>\n",
       "      <td>E</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>3azm</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2011-09-21</td>\n",
       "      <td>2012-08-15</td>\n",
       "      <td>2.89</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>GSHMSGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGG...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;19...</td>\n",
       "      <td>??????????????????????RKVLRDNIQGITKPAIRRLARRGG...</td>\n",
       "      <td>??????????????????????RKVLRDNIQGITKPAIRRLARRGG...</td>\n",
       "      <td>F</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>3azm</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2011-09-21</td>\n",
       "      <td>2012-08-15</td>\n",
       "      <td>2.89</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>GSHMSGRGKQGGKARAKAKTRSSRAGLQFPVGRVHRLLRKGNYSER...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;15;16;17;1...</td>\n",
       "      <td>??????????????????KTRSSRAGLQFPVGRVHRLLRKGNYSER...</td>\n",
       "      <td>??????????????????KTRSSRAGLQFPVGRVHRLLRKGNYSER...</td>\n",
       "      <td>G</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>3azm</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2011-09-21</td>\n",
       "      <td>2012-08-15</td>\n",
       "      <td>2.89</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>GSHMPEPAKSAPAPKKGSKKAVTKAQKKDGKKRKRSRKESYSIYVY...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>????????????????????????????????????RKESYSIYVY...</td>\n",
       "      <td>????????????????????????????????????RKESYSIYVY...</td>\n",
       "      <td>H</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>3azm</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2011-09-21</td>\n",
       "      <td>2012-08-15</td>\n",
       "      <td>2.89</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>DADTDCDADADTDADTDCDCDADCDCDTDGDCDADGDADTDTDCDT...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>DADTDCDADADTDADTDCDCDADCDCDTDGDCDADGDADTDTDCDT...</td>\n",
       "      <td>DADTDCDADADTDADTDCDCDADCDCDTDGDCDADGDADTDTDCDT...</td>\n",
       "      <td>I</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>3azm</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2011-09-21</td>\n",
       "      <td>2012-08-15</td>\n",
       "      <td>2.89</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18</th>\n",
       "      <td>DTDTDCDADGDCDTDGDADADCDADTDGDCDCDTDTDTDTDGDADT...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>147;148;149;150;151;152;153;154;155;156;157;15...</td>\n",
       "      <td>?;148;149;150;151;152;153;154;155;156;157;158;...</td>\n",
       "      <td>DTDTDCDADGDCDTDGDADADCDADTDGDCDCDTDTDTDTDGDADT...</td>\n",
       "      <td>DTDTDCDADGDCDTDGDADADCDADTDGDCDCDTDTDTDTDGDADT...</td>\n",
       "      <td>J</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>3azm</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2011-09-21</td>\n",
       "      <td>2012-08-15</td>\n",
       "      <td>2.89</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>19</th>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>A</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>20</th>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>E</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>21</th>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>P</td>\n",
       "      <td>.;.;.;.;.;A;B;C;D;E;F;G;H;I;J;K;L;.;.;.;.;.;.;...</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>22</th>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>B</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>23</th>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>F</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>24</th>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>Q</td>\n",
       "      <td>.;.;.;.;.;A;B;C;D;E;F;G;H;I;J;K;L;.;.;.;.;.;.;...</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>25</th>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>C</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>26</th>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>G</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>27</th>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>R</td>\n",
       "      <td>.;.;.;.;.;A;B;C;D;E;F;G;H;I;J;K;L;.;.;.;.;.;.;...</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>28</th>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>D</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>29</th>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>H</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>30</th>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...</td>\n",
       "      <td>S</td>\n",
       "      <td>.;.;.;.;.;A;B;C;D;E;F;G;H;I;J;K;L;.;.;.;.;.;.;...</td>\n",
       "      <td>3g8t</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>31</th>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>A</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>3g96</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.010</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>32</th>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>E</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.</td>\n",
       "      <td>3g96</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.010</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>33</th>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>P</td>\n",
       "      <td>.;.;.;.;.;A;B;C;D;E;F;G;H;I;J;K;L;.;.;.;.;.;.;...</td>\n",
       "      <td>3g96</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.010</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>34</th>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>B</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>3g96</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.010</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>35</th>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>F</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.</td>\n",
       "      <td>3g96</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.010</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>36</th>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>Q</td>\n",
       "      <td>.;.;.;.;.;A;B;C;D;E;F;G;H;I;J;K;L;.;.;.;.;.;.;...</td>\n",
       "      <td>3g96</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.010</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>37</th>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>C</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>3g96</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.010</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>38</th>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>G</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.</td>\n",
       "      <td>3g96</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.010</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>39</th>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>R</td>\n",
       "      <td>.;.;.;.;.;A;B;C;D;E;F;G;H;I;J;K;L;.;.;.;.;.;.;...</td>\n",
       "      <td>3g96</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.010</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>40</th>\n",
       "      <td>MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...</td>\n",
       "      <td>D</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>3g96</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.010</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>41</th>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>AXGCGCCAGAACU</td>\n",
       "      <td>H</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.</td>\n",
       "      <td>3g96</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.010</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>42</th>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...</td>\n",
       "      <td>S</td>\n",
       "      <td>.;.;.;.;.;A;B;C;D;E;F;G;H;I;J;K;L;.;.;.;.;.;.;...</td>\n",
       "      <td>3g96</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2009-11-03</td>\n",
       "      <td>2018-04-11</td>\n",
       "      <td>3.010</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>43</th>\n",
       "      <td>MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>A</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>6d7s</td>\n",
       "      <td>ELECTRON MICROSCOPY</td>\n",
       "      <td>2018-07-18</td>\n",
       "      <td>2018-07-18</td>\n",
       "      <td>4.34</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>44</th>\n",
       "      <td>MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>B</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>6d7s</td>\n",
       "      <td>ELECTRON MICROSCOPY</td>\n",
       "      <td>2018-07-18</td>\n",
       "      <td>2018-07-18</td>\n",
       "      <td>4.34</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>45</th>\n",
       "      <td>MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>C</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>6d7s</td>\n",
       "      <td>ELECTRON MICROSCOPY</td>\n",
       "      <td>2018-07-18</td>\n",
       "      <td>2018-07-18</td>\n",
       "      <td>4.34</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>46</th>\n",
       "      <td>MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>D</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>6d7s</td>\n",
       "      <td>ELECTRON MICROSCOPY</td>\n",
       "      <td>2018-07-18</td>\n",
       "      <td>2018-07-18</td>\n",
       "      <td>4.34</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>47</th>\n",
       "      <td>GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRTE...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRTE...</td>\n",
       "      <td>GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRTE...</td>\n",
       "      <td>A</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>6iwg</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2019-08-14</td>\n",
       "      <td>2019-08-14</td>\n",
       "      <td>1.80</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>48</th>\n",
       "      <td>AIQRTPKIQVYSRHPPENGKPNFLNCYVSGFHPSDIEVDLLKNGEK...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18...</td>\n",
       "      <td>0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18...</td>\n",
       "      <td>AIQRTPKIQVYSRHPPENGKPNFLNCYVSGFHPSDIEVDLLKNGEK...</td>\n",
       "      <td>AIQRTPKIQVYSRHPPENGKPNFLNCYVSGFHPSDIEVDLLKNGEK...</td>\n",
       "      <td>B</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>6iwg</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2019-08-14</td>\n",
       "      <td>2019-08-14</td>\n",
       "      <td>1.80</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>49</th>\n",
       "      <td>XGGAI</td>\n",
       "      <td>1;2;3;4;5</td>\n",
       "      <td>1;2;3;4;5</td>\n",
       "      <td>1;2;3;4;5</td>\n",
       "      <td>XGGAI</td>\n",
       "      <td>XGGAI</td>\n",
       "      <td>C</td>\n",
       "      <td>.;.;.;.;.</td>\n",
       "      <td>6iwg</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2019-08-14</td>\n",
       "      <td>2019-08-14</td>\n",
       "      <td>1.80</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>50</th>\n",
       "      <td>GSMEALGPGPPASLFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;12;13;14;15;16;17;18...</td>\n",
       "      <td>?????????????LFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...</td>\n",
       "      <td>?????????????LFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...</td>\n",
       "      <td>A</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...</td>\n",
       "      <td>6oon</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2019-07-31</td>\n",
       "      <td>2019-07-31</td>\n",
       "      <td>1.900</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>51</th>\n",
       "      <td>AAAAAAAAAAUU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;15;20;21</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;15;20;21</td>\n",
       "      <td>AAAAAAAAAAUU</td>\n",
       "      <td>AAAAAAAAAAUU</td>\n",
       "      <td>B</td>\n",
       "      <td>.;.;.;.;.;.;.;.;.;.;.;.</td>\n",
       "      <td>6oon</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>2019-07-31</td>\n",
       "      <td>2019-07-31</td>\n",
       "      <td>1.900</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "                         _pdbx_poly_seq_scheme.mon_id  \\\n",
       "0   GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHL...   \n",
       "1   ASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAH...   \n",
       "2   MASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISILT...   \n",
       "3   LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGET...   \n",
       "4   QDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...   \n",
       "5   QDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...   \n",
       "6   MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...   \n",
       "7   MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...   \n",
       "8   MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...   \n",
       "9   GSHMARTKQTARKSTGGKAPRKQLATKAARKSAPATGGVKKPHRYR...   \n",
       "10  GSHMSGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGG...   \n",
       "11  GSHMSGRGKQGGKARAKAKTRSSRAGLQFPVGRVHRLLRKGNYSER...   \n",
       "12  GSHMPEPAKSAPAPKKGSKKAVTKAQKKDGKKRKRSRKESYSIYVY...   \n",
       "13  GSHMARTKQTARKSTGGKAPRKQLATKAARKSAPATGGVKKPHRYR...   \n",
       "14  GSHMSGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGG...   \n",
       "15  GSHMSGRGKQGGKARAKAKTRSSRAGLQFPVGRVHRLLRKGNYSER...   \n",
       "16  GSHMPEPAKSAPAPKKGSKKAVTKAQKKDGKKRKRSRKESYSIYVY...   \n",
       "17  DADTDCDADADTDADTDCDCDADCDCDTDGDCDADGDADTDTDCDT...   \n",
       "18  DTDTDCDADGDCDTDGDADADCDADTDGDCDCDTDTDTDTDGDADT...   \n",
       "19  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "20                                      AXGCGCCAGAACU   \n",
       "21  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "22  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "23                                      AXGCGCCAGAACU   \n",
       "24  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "25  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "26                                      AXGCGCCAGAACU   \n",
       "27  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "28  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "29                                      AXGCGCCAGAACU   \n",
       "30  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "31  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "32                                      AXGCGCCAGAACU   \n",
       "33  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "34  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "35                                      AXGCGCCAGAACU   \n",
       "36  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "37  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "38                                      AXGCGCCAGAACU   \n",
       "39  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "40  MAVPETRPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "41                                      AXGCGCCAGAACU   \n",
       "42  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "43  MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...   \n",
       "44  MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...   \n",
       "45  MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...   \n",
       "46  MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...   \n",
       "47  GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRTE...   \n",
       "48  AIQRTPKIQVYSRHPPENGKPNFLNCYVSGFHPSDIEVDLLKNGEK...   \n",
       "49                                              XGGAI   \n",
       "50  GSMEALGPGPPASLFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...   \n",
       "51                                       AAAAAAAAAAUU   \n",
       "\n",
       "                    _pdbx_poly_seq_scheme.ndb_seq_num  \\\n",
       "0   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "1   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "2   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "3   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "4   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "5   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "6   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "7   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "8   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "9   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "10  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "11  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "12  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "13  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "14  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "15  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "16  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "17  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "18  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "19  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "20                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "21  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "22  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "23                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "24  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "25  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "26                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "27  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "28  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "29                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "30  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "31  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "32                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "33  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "34  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "35                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "36  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "37  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "38                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "39  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "40  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "41                      1;2;3;4;5;6;7;8;9;10;11;12;13   \n",
       "42  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "43  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "44  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "45  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "46  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "47  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "48  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "49                                          1;2;3;4;5   \n",
       "50  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "51                         1;2;3;4;5;6;7;8;9;10;11;12   \n",
       "\n",
       "                    _pdbx_poly_seq_scheme.pdb_seq_num  \\\n",
       "0   -1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17...   \n",
       "1   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "2   2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;...   \n",
       "3   4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;2...   \n",
       "4   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "5   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "6   255;256;257;258;259;260;261;262;263;264;265;26...   \n",
       "7   255;256;257;258;259;260;261;262;263;264;265;26...   \n",
       "8   255;256;257;258;259;260;261;262;263;264;265;26...   \n",
       "9   -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "10  -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "11  -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "12  -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "13  -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "14  -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "15  -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "16  -3;-2;-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15...   \n",
       "17  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "18  147;148;149;150;151;152;153;154;155;156;157;15...   \n",
       "19  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "20                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "21  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "22  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "23                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "24  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "25  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "26                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "27  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "28  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "29                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "30  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "31  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "32                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "33  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "34  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "35                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "36  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "37  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "38                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "39  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "40  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "41                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "42  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "43  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "44  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "45  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "46  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "47  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "48  0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18...   \n",
       "49                                          1;2;3;4;5   \n",
       "50  -1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17...   \n",
       "51                         1;2;3;4;5;6;7;8;9;15;20;21   \n",
       "\n",
       "                   _pdbx_poly_seq_scheme.auth_seq_num  \\\n",
       "0   -1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17...   \n",
       "1   ?;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "2   ?;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;...   \n",
       "3   4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;2...   \n",
       "4   ?;?;?;?;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "5   ?;?;?;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "6   ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...   \n",
       "7   ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...   \n",
       "8   ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...   \n",
       "9   ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...   \n",
       "10  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...   \n",
       "11  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;13;14;15;16;17...   \n",
       "12  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...   \n",
       "13  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...   \n",
       "14  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;19...   \n",
       "15  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;15;16;17;1...   \n",
       "16  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...   \n",
       "17  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "18  ?;148;149;150;151;152;153;154;155;156;157;158;...   \n",
       "19  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "20                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "21  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "22  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "23                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "24  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "25  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "26                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "27  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "28  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "29                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "30  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "31  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "32                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "33  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "34  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "35                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "36  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "37  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "38                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "39  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "40  ?;?;?;?;?;?;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "41                       -1;0;1;2;3;4;5;6;7;8;9;10;11   \n",
       "42  12;13;14;15;16;17;17;17;17;17;17;17;17;17;17;1...   \n",
       "43  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...   \n",
       "44  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...   \n",
       "45  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...   \n",
       "46  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...   \n",
       "47  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "48  0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18...   \n",
       "49                                          1;2;3;4;5   \n",
       "50  ?;?;?;?;?;?;?;?;?;?;?;?;?;12;13;14;15;16;17;18...   \n",
       "51                         1;2;3;4;5;6;7;8;9;15;20;21   \n",
       "\n",
       "                     _pdbx_poly_seq_scheme.pdb_mon_id  \\\n",
       "0   GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHL...   \n",
       "1   ?SRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAH...   \n",
       "2   ?ASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISILT...   \n",
       "3   LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGET...   \n",
       "4   ????SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...   \n",
       "5   ???TSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...   \n",
       "6   ?????????????????????????KWEMERTDITMKHKLGGGQYG...   \n",
       "7   ?????????????????????????KWEMERTDITMKHKLGGGQYG...   \n",
       "8   ??????????????????????????WEMERTDITMKHKLGGGQYG...   \n",
       "9   ?????????????????????????????????????????PHRYR...   \n",
       "10  ????????????????????????????NIQGITKPAIRRLARRGG...   \n",
       "11  ????????????????KAKTRSSRAGLQFPVGRVHRLLRKGNYSER...   \n",
       "12  ?????????????????????????????????KRSRKESYSIYVY...   \n",
       "13  ????????????????????????????????????????KPHRYR...   \n",
       "14  ??????????????????????RKVLRDNIQGITKPAIRRLARRGG...   \n",
       "15  ??????????????????KTRSSRAGLQFPVGRVHRLLRKGNYSER...   \n",
       "16  ????????????????????????????????????RKESYSIYVY...   \n",
       "17  DADTDCDADADTDADTDCDCDADCDCDTDGDCDADGDADTDTDCDT...   \n",
       "18  DTDTDCDADGDCDTDGDADADCDADTDGDCDCDTDTDTDTDGDADT...   \n",
       "19  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "20                                      AXGCGCCAGAACU   \n",
       "21  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "22  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "23                                      AXGCGCCAGAACU   \n",
       "24  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "25  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "26                                      AXGCGCCAGAACU   \n",
       "27  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "28  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "29                                      AXGCGCCAGAACU   \n",
       "30  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "31  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "32                                      AXGCGCCAGAACU   \n",
       "33  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "34  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "35                                      AXGCGCCAGAACU   \n",
       "36  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "37  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "38                                      AXGCGCCAGAACU   \n",
       "39  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "40  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "41                                      AXGCGCCAGAACU   \n",
       "42  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "43  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "44  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "45  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "46  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "47  GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRTE...   \n",
       "48  AIQRTPKIQVYSRHPPENGKPNFLNCYVSGFHPSDIEVDLLKNGEK...   \n",
       "49                                              XGGAI   \n",
       "50  ?????????????LFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...   \n",
       "51                                       AAAAAAAAAAUU   \n",
       "\n",
       "                    _pdbx_poly_seq_scheme.auth_mon_id  \\\n",
       "0   GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHL...   \n",
       "1   ?SRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAH...   \n",
       "2   ?ASIWVGHRGTVRDYPDFSPSVDAEAIQKAIRGIGTDEKMLISILT...   \n",
       "3   LETFVGDQVLEIVPSNEEQIKNLLQLEAQEHLQLDFWKSPTTPGET...   \n",
       "4   ????SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...   \n",
       "5   ???TSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDK...   \n",
       "6   ?????????????????????????KWEMERTDITMKHKLGGGQYG...   \n",
       "7   ?????????????????????????KWEMERTDITMKHKLGGGQYG...   \n",
       "8   ??????????????????????????WEMERTDITMKHKLGGGQYG...   \n",
       "9   ?????????????????????????????????????????PHRYR...   \n",
       "10  ????????????????????????????NIQGITKPAIRRLARRGG...   \n",
       "11  ????????????????KAKTRSSRAGLQFPVGRVHRLLRKGNYSER...   \n",
       "12  ?????????????????????????????????KRSRKESYSIYVY...   \n",
       "13  ????????????????????????????????????????KPHRYR...   \n",
       "14  ??????????????????????RKVLRDNIQGITKPAIRRLARRGG...   \n",
       "15  ??????????????????KTRSSRAGLQFPVGRVHRLLRKGNYSER...   \n",
       "16  ????????????????????????????????????RKESYSIYVY...   \n",
       "17  DADTDCDADADTDADTDCDCDADCDCDTDGDCDADGDADTDTDCDT...   \n",
       "18  DTDTDCDADGDCDTDGDADADCDADTDGDCDCDTDTDTDTDGDADT...   \n",
       "19  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "20                                      AXGCGCCAGAACU   \n",
       "21  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "22  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "23                                      AXGCGCCAGAACU   \n",
       "24  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "25  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "26                                      AXGCGCCAGAACU   \n",
       "27  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "28  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "29                                      AXGCGCCAGAACU   \n",
       "30  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGAUGGGGUUUAUCGA...   \n",
       "31  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "32                                      AXGCGCCAGAACU   \n",
       "33  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "34  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "35                                      AXGCGCCAGAACU   \n",
       "36  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "37  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "38                                      AXGCGCCAGAACU   \n",
       "39  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "40  ??????RPNHTIYINNLNEKIKKDELKKSLHAIFSRFGQILDILVS...   \n",
       "41                                      AXGCGCCAGAACU   \n",
       "42  XGCACCAUUGCACUCCGGUGCCAGUUGACGAGGUGGGGUUUAUCGA...   \n",
       "43  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "44  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "45  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "46  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "47  GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRTE...   \n",
       "48  AIQRTPKIQVYSRHPPENGKPNFLNCYVSGFHPSDIEVDLLKNGEK...   \n",
       "49                                              XGGAI   \n",
       "50  ?????????????LFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...   \n",
       "51                                       AAAAAAAAAAUU   \n",
       "\n",
       "   _pdbx_poly_seq_scheme.pdb_strand_id  \\\n",
       "0                                    A   \n",
       "1                                    A   \n",
       "2                                    A   \n",
       "3                                    A   \n",
       "4                                    A   \n",
       "5                                    B   \n",
       "6                                    A   \n",
       "7                                    B   \n",
       "8                                    C   \n",
       "9                                    A   \n",
       "10                                   B   \n",
       "11                                   C   \n",
       "12                                   D   \n",
       "13                                   E   \n",
       "14                                   F   \n",
       "15                                   G   \n",
       "16                                   H   \n",
       "17                                   I   \n",
       "18                                   J   \n",
       "19                                   A   \n",
       "20                                   E   \n",
       "21                                   P   \n",
       "22                                   B   \n",
       "23                                   F   \n",
       "24                                   Q   \n",
       "25                                   C   \n",
       "26                                   G   \n",
       "27                                   R   \n",
       "28                                   D   \n",
       "29                                   H   \n",
       "30                                   S   \n",
       "31                                   A   \n",
       "32                                   E   \n",
       "33                                   P   \n",
       "34                                   B   \n",
       "35                                   F   \n",
       "36                                   Q   \n",
       "37                                   C   \n",
       "38                                   G   \n",
       "39                                   R   \n",
       "40                                   D   \n",
       "41                                   H   \n",
       "42                                   S   \n",
       "43                                   A   \n",
       "44                                   B   \n",
       "45                                   C   \n",
       "46                                   D   \n",
       "47                                   A   \n",
       "48                                   B   \n",
       "49                                   C   \n",
       "50                                   A   \n",
       "51                                   B   \n",
       "\n",
       "                   _pdbx_poly_seq_scheme.pdb_ins_code pdb_id  \\\n",
       "0   .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   1a5r   \n",
       "1   .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   1abn   \n",
       "2   .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   1aii   \n",
       "3   A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;A;...   1aye   \n",
       "4   .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   1dfv   \n",
       "5   .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   1dfv   \n",
       "6   .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   2xyn   \n",
       "7   .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   2xyn   \n",
       "8   .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   2xyn   \n",
       "9   .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   3azm   \n",
       "10  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   3azm   \n",
       "11  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   3azm   \n",
       "12  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   3azm   \n",
       "13  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   3azm   \n",
       "14  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   3azm   \n",
       "15  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   3azm   \n",
       "16  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   3azm   \n",
       "17  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   3azm   \n",
       "18  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   3azm   \n",
       "19  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   3g8t   \n",
       "20                          .;.;.;.;.;.;.;.;.;.;.;.;.   3g8t   \n",
       "21  .;.;.;.;.;A;B;C;D;E;F;G;H;I;J;K;L;.;.;.;.;.;.;...   3g8t   \n",
       "22  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   3g8t   \n",
       "23                          .;.;.;.;.;.;.;.;.;.;.;.;.   3g8t   \n",
       "24  .;.;.;.;.;A;B;C;D;E;F;G;H;I;J;K;L;.;.;.;.;.;.;...   3g8t   \n",
       "25  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   3g8t   \n",
       "26                          .;.;.;.;.;.;.;.;.;.;.;.;.   3g8t   \n",
       "27  .;.;.;.;.;A;B;C;D;E;F;G;H;I;J;K;L;.;.;.;.;.;.;...   3g8t   \n",
       "28  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   3g8t   \n",
       "29                          .;.;.;.;.;.;.;.;.;.;.;.;.   3g8t   \n",
       "30  .;.;.;.;.;A;B;C;D;E;F;G;H;I;J;K;L;.;.;.;.;.;.;...   3g8t   \n",
       "31  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   3g96   \n",
       "32                          .;.;.;.;.;.;.;.;.;.;.;.;.   3g96   \n",
       "33  .;.;.;.;.;A;B;C;D;E;F;G;H;I;J;K;L;.;.;.;.;.;.;...   3g96   \n",
       "34  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   3g96   \n",
       "35                          .;.;.;.;.;.;.;.;.;.;.;.;.   3g96   \n",
       "36  .;.;.;.;.;A;B;C;D;E;F;G;H;I;J;K;L;.;.;.;.;.;.;...   3g96   \n",
       "37  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   3g96   \n",
       "38                          .;.;.;.;.;.;.;.;.;.;.;.;.   3g96   \n",
       "39  .;.;.;.;.;A;B;C;D;E;F;G;H;I;J;K;L;.;.;.;.;.;.;...   3g96   \n",
       "40  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   3g96   \n",
       "41                          .;.;.;.;.;.;.;.;.;.;.;.;.   3g96   \n",
       "42  .;.;.;.;.;A;B;C;D;E;F;G;H;I;J;K;L;.;.;.;.;.;.;...   3g96   \n",
       "43  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   6d7s   \n",
       "44  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   6d7s   \n",
       "45  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   6d7s   \n",
       "46  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   6d7s   \n",
       "47  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   6iwg   \n",
       "48  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   6iwg   \n",
       "49                                          .;.;.;.;.   6iwg   \n",
       "50  .;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;.;...   6oon   \n",
       "51                            .;.;.;.;.;.;.;.;.;.;.;.   6oon   \n",
       "\n",
       "                 method initial_version_time newest_version_time resolution  \n",
       "0          SOLUTION NMR           1998-10-14          2011-07-13        NaN  \n",
       "1     X-RAY DIFFRACTION           1994-01-31          2017-11-29        2.4  \n",
       "2     X-RAY DIFFRACTION           1997-03-12          2011-07-13       1.95  \n",
       "3     X-RAY DIFFRACTION           1999-01-13          2011-07-13        1.8  \n",
       "4     X-RAY DIFFRACTION           2000-03-06          2011-11-16       2.60  \n",
       "5     X-RAY DIFFRACTION           2000-03-06          2011-11-16       2.60  \n",
       "6     X-RAY DIFFRACTION           2010-12-01          2019-04-03       2.81  \n",
       "7     X-RAY DIFFRACTION           2010-12-01          2019-04-03       2.81  \n",
       "8     X-RAY DIFFRACTION           2010-12-01          2019-04-03       2.81  \n",
       "9     X-RAY DIFFRACTION           2011-09-21          2012-08-15       2.89  \n",
       "10    X-RAY DIFFRACTION           2011-09-21          2012-08-15       2.89  \n",
       "11    X-RAY DIFFRACTION           2011-09-21          2012-08-15       2.89  \n",
       "12    X-RAY DIFFRACTION           2011-09-21          2012-08-15       2.89  \n",
       "13    X-RAY DIFFRACTION           2011-09-21          2012-08-15       2.89  \n",
       "14    X-RAY DIFFRACTION           2011-09-21          2012-08-15       2.89  \n",
       "15    X-RAY DIFFRACTION           2011-09-21          2012-08-15       2.89  \n",
       "16    X-RAY DIFFRACTION           2011-09-21          2012-08-15       2.89  \n",
       "17    X-RAY DIFFRACTION           2011-09-21          2012-08-15       2.89  \n",
       "18    X-RAY DIFFRACTION           2011-09-21          2012-08-15       2.89  \n",
       "19    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.000  \n",
       "20    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.000  \n",
       "21    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.000  \n",
       "22    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.000  \n",
       "23    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.000  \n",
       "24    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.000  \n",
       "25    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.000  \n",
       "26    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.000  \n",
       "27    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.000  \n",
       "28    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.000  \n",
       "29    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.000  \n",
       "30    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.000  \n",
       "31    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.010  \n",
       "32    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.010  \n",
       "33    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.010  \n",
       "34    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.010  \n",
       "35    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.010  \n",
       "36    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.010  \n",
       "37    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.010  \n",
       "38    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.010  \n",
       "39    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.010  \n",
       "40    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.010  \n",
       "41    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.010  \n",
       "42    X-RAY DIFFRACTION           2009-11-03          2018-04-11      3.010  \n",
       "43  ELECTRON MICROSCOPY           2018-07-18          2018-07-18       4.34  \n",
       "44  ELECTRON MICROSCOPY           2018-07-18          2018-07-18       4.34  \n",
       "45  ELECTRON MICROSCOPY           2018-07-18          2018-07-18       4.34  \n",
       "46  ELECTRON MICROSCOPY           2018-07-18          2018-07-18       4.34  \n",
       "47    X-RAY DIFFRACTION           2019-08-14          2019-08-14       1.80  \n",
       "48    X-RAY DIFFRACTION           2019-08-14          2019-08-14       1.80  \n",
       "49    X-RAY DIFFRACTION           2019-08-14          2019-08-14       1.80  \n",
       "50    X-RAY DIFFRACTION           2019-07-31          2019-07-31      1.900  \n",
       "51    X-RAY DIFFRACTION           2019-07-31          2019-07-31      1.900  "
      ]
     },
     "execution_count": 95,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "basic_dfrm"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 107,
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>_struct_conn.conn_type_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_asym_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_comp_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_seq_id</th>\n",
       "      <th>_struct_conn.ptnr2_auth_asym_id</th>\n",
       "      <th>_struct_conn.ptnr2_auth_comp_id</th>\n",
       "      <th>_struct_conn.ptnr2_auth_seq_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_asym_id_index</th>\n",
       "      <th>_struct_conn.ptnr1_auth_asym_id_li</th>\n",
       "      <th>pdb_id</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>[metalc, metalc, metalc, metalc, metalc, metal...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[CA, CA, CA, CA, CA, CA, CA, CA, CA, CA, CA, C...</td>\n",
       "      <td>[355, 351, 351, 351, 351, 351, 353, 353, 353, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[ETA, GLY, ILE, GLY, ASP, ASP, GLU, GLY, GLY, ...</td>\n",
       "      <td>[360, 34, 32, 36, 76, 76, 232, 192, 187, 190, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>A</td>\n",
       "      <td>1aii</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>[disulf, disulf, metalc, metalc, metalc, metal...</td>\n",
       "      <td>[A, A, A, A, A, A, A]</td>\n",
       "      <td>[CYS, CYS, ZN, ZN, ZN, ZN, ZN]</td>\n",
       "      <td>[138, 210, 400, 400, 400, 400, 400]</td>\n",
       "      <td>[A, A, A, A, A, A, A]</td>\n",
       "      <td>[CYS, CYS, HIS, GLU, GLU, HIS, HOH]</td>\n",
       "      <td>[161, 244, 69, 72, 72, 196, 401]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>A</td>\n",
       "      <td>1aye</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>[disulf]</td>\n",
       "      <td>[A]</td>\n",
       "      <td>[CYS]</td>\n",
       "      <td>[76]</td>\n",
       "      <td>[A]</td>\n",
       "      <td>[CYS]</td>\n",
       "      <td>[175]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>A</td>\n",
       "      <td>1dfv</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>[disulf]</td>\n",
       "      <td>[B]</td>\n",
       "      <td>[CYS]</td>\n",
       "      <td>[76]</td>\n",
       "      <td>[B]</td>\n",
       "      <td>[CYS]</td>\n",
       "      <td>[175]</td>\n",
       "      <td>1.0</td>\n",
       "      <td>B</td>\n",
       "      <td>1dfv</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>[covale, covale]</td>\n",
       "      <td>[A, A]</td>\n",
       "      <td>[NAG, ASN]</td>\n",
       "      <td>[179, 65]</td>\n",
       "      <td>[A, A]</td>\n",
       "      <td>[NAG, NAG]</td>\n",
       "      <td>[180, 179]</td>\n",
       "      <td>2.0</td>\n",
       "      <td>A</td>\n",
       "      <td>1dfv</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>[covale]</td>\n",
       "      <td>[B]</td>\n",
       "      <td>[ASN]</td>\n",
       "      <td>[65]</td>\n",
       "      <td>[B]</td>\n",
       "      <td>[NDG]</td>\n",
       "      <td>[178]</td>\n",
       "      <td>4.0</td>\n",
       "      <td>B</td>\n",
       "      <td>1dfv</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>[metalc, metalc, metalc, metalc, metalc]</td>\n",
       "      <td>[A, A, A, A, A]</td>\n",
       "      <td>[NA, NA, NA, NA, NA]</td>\n",
       "      <td>[1, 1, 1, 549, 549]</td>\n",
       "      <td>[A, A, A, A, A]</td>\n",
       "      <td>[ILE, THR, HOH, HOH, ARG]</td>\n",
       "      <td>[449, 452, 2004, 2006, 519]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>A</td>\n",
       "      <td>2xyn</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>[metalc, metalc, metalc]</td>\n",
       "      <td>[I, I, I]</td>\n",
       "      <td>[DG, DA, DG]</td>\n",
       "      <td>[121, 133, 100]</td>\n",
       "      <td>[I, I, I]</td>\n",
       "      <td>[MN, MN, MN]</td>\n",
       "      <td>[1002, 1003, 1001]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>I</td>\n",
       "      <td>3azm</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>[metalc]</td>\n",
       "      <td>[E]</td>\n",
       "      <td>[ASP]</td>\n",
       "      <td>[77]</td>\n",
       "      <td>[E]</td>\n",
       "      <td>[MN]</td>\n",
       "      <td>[1001]</td>\n",
       "      <td>3.0</td>\n",
       "      <td>E</td>\n",
       "      <td>3azm</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>[metalc, metalc]</td>\n",
       "      <td>[J, J]</td>\n",
       "      <td>[DG, DG]</td>\n",
       "      <td>[217, 280]</td>\n",
       "      <td>[J, J]</td>\n",
       "      <td>[MN, MN]</td>\n",
       "      <td>[1003, 1002]</td>\n",
       "      <td>4.0</td>\n",
       "      <td>J</td>\n",
       "      <td>3azm</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>[metalc, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[I, I, I, I, I, I, I, I, I, I, I, I, I, I, I, ...</td>\n",
       "      <td>[DG, DA, DA, DT, DT, DC, DC, DC, DA, DA, DA, D...</td>\n",
       "      <td>[100, 1, 1, 2, 2, 3, 3, 3, 4, 4, 5, 5, 6, 6, 7...</td>\n",
       "      <td>[I, J, J, J, J, J, J, J, J, J, J, J, J, J, J, ...</td>\n",
       "      <td>[MN, DT, DT, DA, DA, DG, DG, DG, DT, DT, DT, D...</td>\n",
       "      <td>[1001, 292, 292, 291, 291, 290, 290, 290, 289,...</td>\n",
       "      <td>6.0</td>\n",
       "      <td>I</td>\n",
       "      <td>3azm</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>[covale, covale]</td>\n",
       "      <td>[E, E]</td>\n",
       "      <td>[A, A2M]</td>\n",
       "      <td>[-1, 0]</td>\n",
       "      <td>[E, E]</td>\n",
       "      <td>[A2M, G]</td>\n",
       "      <td>[0, 1]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>E</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>[covale]</td>\n",
       "      <td>[P]</td>\n",
       "      <td>[GTP]</td>\n",
       "      <td>[12]</td>\n",
       "      <td>[P]</td>\n",
       "      <td>[G]</td>\n",
       "      <td>[13]</td>\n",
       "      <td>2.0</td>\n",
       "      <td>P</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>[covale, covale]</td>\n",
       "      <td>[F, F]</td>\n",
       "      <td>[A, A2M]</td>\n",
       "      <td>[-1, 0]</td>\n",
       "      <td>[F, F]</td>\n",
       "      <td>[A2M, G]</td>\n",
       "      <td>[0, 1]</td>\n",
       "      <td>3.0</td>\n",
       "      <td>F</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>[covale]</td>\n",
       "      <td>[Q]</td>\n",
       "      <td>[GTP]</td>\n",
       "      <td>[12]</td>\n",
       "      <td>[Q]</td>\n",
       "      <td>[G]</td>\n",
       "      <td>[13]</td>\n",
       "      <td>5.0</td>\n",
       "      <td>Q</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>[covale, covale]</td>\n",
       "      <td>[G, G]</td>\n",
       "      <td>[A, A2M]</td>\n",
       "      <td>[-1, 0]</td>\n",
       "      <td>[G, G]</td>\n",
       "      <td>[A2M, G]</td>\n",
       "      <td>[0, 1]</td>\n",
       "      <td>6.0</td>\n",
       "      <td>G</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>[covale]</td>\n",
       "      <td>[R]</td>\n",
       "      <td>[GTP]</td>\n",
       "      <td>[12]</td>\n",
       "      <td>[R]</td>\n",
       "      <td>[G]</td>\n",
       "      <td>[13]</td>\n",
       "      <td>8.0</td>\n",
       "      <td>R</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>[covale, covale]</td>\n",
       "      <td>[H, H]</td>\n",
       "      <td>[A, A2M]</td>\n",
       "      <td>[-1, 0]</td>\n",
       "      <td>[H, H]</td>\n",
       "      <td>[A2M, G]</td>\n",
       "      <td>[0, 1]</td>\n",
       "      <td>9.0</td>\n",
       "      <td>H</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18</th>\n",
       "      <td>[covale]</td>\n",
       "      <td>[S]</td>\n",
       "      <td>[GTP]</td>\n",
       "      <td>[12]</td>\n",
       "      <td>[S]</td>\n",
       "      <td>[G]</td>\n",
       "      <td>[13]</td>\n",
       "      <td>11.0</td>\n",
       "      <td>S</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>19</th>\n",
       "      <td>[metalc]</td>\n",
       "      <td>[F]</td>\n",
       "      <td>[C]</td>\n",
       "      <td>[2]</td>\n",
       "      <td>[F]</td>\n",
       "      <td>[MG]</td>\n",
       "      <td>[13]</td>\n",
       "      <td>12.0</td>\n",
       "      <td>F</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>20</th>\n",
       "      <td>[metalc]</td>\n",
       "      <td>[Q]</td>\n",
       "      <td>[G]</td>\n",
       "      <td>[47]</td>\n",
       "      <td>[Q]</td>\n",
       "      <td>[MG]</td>\n",
       "      <td>[10]</td>\n",
       "      <td>13.0</td>\n",
       "      <td>Q</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>21</th>\n",
       "      <td>[metalc]</td>\n",
       "      <td>[R]</td>\n",
       "      <td>[U]</td>\n",
       "      <td>[49]</td>\n",
       "      <td>[Q]</td>\n",
       "      <td>[MG]</td>\n",
       "      <td>[10]</td>\n",
       "      <td>14.0</td>\n",
       "      <td>R</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>22</th>\n",
       "      <td>[metalc]</td>\n",
       "      <td>[F]</td>\n",
       "      <td>[MG]</td>\n",
       "      <td>[13]</td>\n",
       "      <td>[Q]</td>\n",
       "      <td>[HOH]</td>\n",
       "      <td>[151]</td>\n",
       "      <td>15.0</td>\n",
       "      <td>F</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>23</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[E, E, E, E, E, E, E, E, E, E, E, E, E, E, E, ...</td>\n",
       "      <td>[A2M, G, C, C, C, C, G, G, G, C, C, C, C, G, G...</td>\n",
       "      <td>[0, 1, 2, 2, 2, 2, 3, 3, 3, 4, 5, 5, 5, 7, 7, ...</td>\n",
       "      <td>[P, P, P, P, P, F, P, P, P, P, P, P, P, P, P, ...</td>\n",
       "      <td>[G, C, G, G, G, A, C, C, C, G, G, G, G, C, C, ...</td>\n",
       "      <td>[57, 44, 56, 56, 56, -1, 55, 55, 55, 54, 53, 5...</td>\n",
       "      <td>16.0</td>\n",
       "      <td>E</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>24</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[P, P, P, P, P, P, P, P, P, P, P, P, P, P, P, ...</td>\n",
       "      <td>[GTP, G, C, C, C, A, A, C, C, C, C, C, C, G, A...</td>\n",
       "      <td>[12, 13, 14, 14, 14, 15, 15, 16, 16, 16, 17, 1...</td>\n",
       "      <td>[P, P, P, P, P, P, P, P, P, P, P, P, P, P, P, ...</td>\n",
       "      <td>[C, C, G, G, G, U, U, G, G, G, G, G, G, A, C, ...</td>\n",
       "      <td>[22, 21, 20, 20, 20, 19, 19, 18, 18, 18, 17, 1...</td>\n",
       "      <td>38.0</td>\n",
       "      <td>P</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>25</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, ...</td>\n",
       "      <td>[A2M, G, C, C, C, G, G, G, C, C, C, C, C, C, G...</td>\n",
       "      <td>[0, 1, 2, 2, 2, 3, 3, 3, 4, 4, 4, 5, 5, 5, 7, ...</td>\n",
       "      <td>[Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...</td>\n",
       "      <td>[G, C, G, G, G, C, C, C, G, G, G, G, G, G, G, ...</td>\n",
       "      <td>[57, 44, 56, 56, 56, 55, 55, 55, 54, 54, 54, 5...</td>\n",
       "      <td>141.0</td>\n",
       "      <td>F</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>26</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...</td>\n",
       "      <td>[GTP, GTP, GTP, G, G, G, C, C, C, A, A, C, C, ...</td>\n",
       "      <td>[12, 12, 12, 13, 13, 13, 14, 14, 14, 15, 15, 1...</td>\n",
       "      <td>[Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...</td>\n",
       "      <td>[C, C, C, C, C, C, G, G, G, U, U, G, G, G, G, ...</td>\n",
       "      <td>[22, 22, 22, 21, 21, 21, 20, 20, 20, 19, 19, 1...</td>\n",
       "      <td>169.0</td>\n",
       "      <td>Q</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>27</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[G, G, G, G, G, G, G, G, G, G, G, G, G, G, G, ...</td>\n",
       "      <td>[A, G, C, C, C, C, G, G, G, C, C, C, C, C, C, ...</td>\n",
       "      <td>[-1, 1, 2, 2, 2, 2, 3, 3, 3, 4, 4, 4, 5, 5, 5,...</td>\n",
       "      <td>[H, R, R, R, R, H, R, R, R, R, R, R, R, R, R, ...</td>\n",
       "      <td>[C, C, G, G, G, A, C, C, C, G, G, G, G, G, G, ...</td>\n",
       "      <td>[2, 44, 56, 56, 56, -1, 55, 55, 55, 54, 54, 54...</td>\n",
       "      <td>273.0</td>\n",
       "      <td>G</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>28</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...</td>\n",
       "      <td>[GTP, G, C, C, C, A, A, C, C, C, C, G, C, C, C...</td>\n",
       "      <td>[12, 13, 14, 14, 14, 15, 15, 16, 17, 17, 17, 2...</td>\n",
       "      <td>[R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...</td>\n",
       "      <td>[C, C, G, G, G, U, U, G, G, G, G, A, G, G, G, ...</td>\n",
       "      <td>[22, 21, 20, 20, 20, 19, 19, 18, 17, 17, 17, 1...</td>\n",
       "      <td>300.0</td>\n",
       "      <td>R</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>29</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[H, H, H, H, H, H, H, H, H, H, H, H, H, H, H, ...</td>\n",
       "      <td>[A2M, C, C, C, G, G, G, C, C, C, C, C, C, G, G...</td>\n",
       "      <td>[0, 2, 2, 2, 3, 3, 3, 4, 4, 4, 5, 5, 5, 7, 7, ...</td>\n",
       "      <td>[S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...</td>\n",
       "      <td>[G, G, G, G, C, C, C, G, G, G, G, G, G, C, C, ...</td>\n",
       "      <td>[57, 56, 56, 56, 55, 55, 55, 54, 54, 54, 53, 5...</td>\n",
       "      <td>404.0</td>\n",
       "      <td>H</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>30</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...</td>\n",
       "      <td>[GTP, GTP, GTP, G, G, G, C, C, C, A, A, C, C, ...</td>\n",
       "      <td>[12, 12, 12, 13, 13, 13, 14, 14, 14, 15, 15, 1...</td>\n",
       "      <td>[S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...</td>\n",
       "      <td>[C, C, C, C, C, C, G, G, G, U, U, G, G, G, G, ...</td>\n",
       "      <td>[22, 22, 22, 21, 21, 21, 20, 20, 20, 19, 19, 1...</td>\n",
       "      <td>428.0</td>\n",
       "      <td>S</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>31</th>\n",
       "      <td>[covale, covale]</td>\n",
       "      <td>[E, E]</td>\n",
       "      <td>[A, A2M]</td>\n",
       "      <td>[-1, 0]</td>\n",
       "      <td>[E, E]</td>\n",
       "      <td>[A2M, G]</td>\n",
       "      <td>[0, 1]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>E</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>32</th>\n",
       "      <td>[covale]</td>\n",
       "      <td>[P]</td>\n",
       "      <td>[GTP]</td>\n",
       "      <td>[12]</td>\n",
       "      <td>[P]</td>\n",
       "      <td>[G]</td>\n",
       "      <td>[13]</td>\n",
       "      <td>2.0</td>\n",
       "      <td>P</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>33</th>\n",
       "      <td>[covale, covale]</td>\n",
       "      <td>[F, F]</td>\n",
       "      <td>[A, A2M]</td>\n",
       "      <td>[-1, 0]</td>\n",
       "      <td>[F, F]</td>\n",
       "      <td>[A2M, G]</td>\n",
       "      <td>[0, 1]</td>\n",
       "      <td>3.0</td>\n",
       "      <td>F</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>34</th>\n",
       "      <td>[covale]</td>\n",
       "      <td>[Q]</td>\n",
       "      <td>[GTP]</td>\n",
       "      <td>[12]</td>\n",
       "      <td>[Q]</td>\n",
       "      <td>[G]</td>\n",
       "      <td>[13]</td>\n",
       "      <td>5.0</td>\n",
       "      <td>Q</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>35</th>\n",
       "      <td>[covale, covale]</td>\n",
       "      <td>[G, G]</td>\n",
       "      <td>[A, A2M]</td>\n",
       "      <td>[-1, 0]</td>\n",
       "      <td>[G, G]</td>\n",
       "      <td>[A2M, G]</td>\n",
       "      <td>[0, 1]</td>\n",
       "      <td>6.0</td>\n",
       "      <td>G</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>36</th>\n",
       "      <td>[covale]</td>\n",
       "      <td>[R]</td>\n",
       "      <td>[GTP]</td>\n",
       "      <td>[12]</td>\n",
       "      <td>[R]</td>\n",
       "      <td>[G]</td>\n",
       "      <td>[13]</td>\n",
       "      <td>8.0</td>\n",
       "      <td>R</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>37</th>\n",
       "      <td>[covale, covale]</td>\n",
       "      <td>[H, H]</td>\n",
       "      <td>[A, A2M]</td>\n",
       "      <td>[-1, 0]</td>\n",
       "      <td>[H, H]</td>\n",
       "      <td>[A2M, G]</td>\n",
       "      <td>[0, 1]</td>\n",
       "      <td>9.0</td>\n",
       "      <td>H</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>38</th>\n",
       "      <td>[covale]</td>\n",
       "      <td>[S]</td>\n",
       "      <td>[GTP]</td>\n",
       "      <td>[12]</td>\n",
       "      <td>[S]</td>\n",
       "      <td>[G]</td>\n",
       "      <td>[13]</td>\n",
       "      <td>11.0</td>\n",
       "      <td>S</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>39</th>\n",
       "      <td>[metalc]</td>\n",
       "      <td>[Q]</td>\n",
       "      <td>[GTP]</td>\n",
       "      <td>[12]</td>\n",
       "      <td>[Q]</td>\n",
       "      <td>[MG]</td>\n",
       "      <td>[4]</td>\n",
       "      <td>12.0</td>\n",
       "      <td>Q</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>40</th>\n",
       "      <td>[metalc]</td>\n",
       "      <td>[G]</td>\n",
       "      <td>[C]</td>\n",
       "      <td>[2]</td>\n",
       "      <td>[G]</td>\n",
       "      <td>[MG]</td>\n",
       "      <td>[12]</td>\n",
       "      <td>13.0</td>\n",
       "      <td>G</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>41</th>\n",
       "      <td>[metalc]</td>\n",
       "      <td>[R]</td>\n",
       "      <td>[A]</td>\n",
       "      <td>[46]</td>\n",
       "      <td>[R]</td>\n",
       "      <td>[MG]</td>\n",
       "      <td>[3]</td>\n",
       "      <td>14.0</td>\n",
       "      <td>R</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>42</th>\n",
       "      <td>[metalc]</td>\n",
       "      <td>[Q]</td>\n",
       "      <td>[MG]</td>\n",
       "      <td>[2]</td>\n",
       "      <td>[F]</td>\n",
       "      <td>[HOH]</td>\n",
       "      <td>[37]</td>\n",
       "      <td>15.0</td>\n",
       "      <td>Q</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>43</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[E, E, E, E, E, E, E, E, E, E, E, E, E, E, E, ...</td>\n",
       "      <td>[A2M, G, C, C, C, G, G, G, C, C, C, C, C, C, G...</td>\n",
       "      <td>[0, 1, 2, 2, 2, 3, 3, 3, 4, 4, 4, 5, 5, 5, 7, ...</td>\n",
       "      <td>[P, P, F, P, P, P, P, P, P, P, P, P, P, P, P, ...</td>\n",
       "      <td>[G, C, A, G, G, C, C, C, G, G, G, G, G, G, G, ...</td>\n",
       "      <td>[57, 44, -1, 56, 56, 55, 55, 55, 54, 54, 54, 5...</td>\n",
       "      <td>16.0</td>\n",
       "      <td>E</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>44</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, ...</td>\n",
       "      <td>[A2M, C, C, C, G, G, G, C, C, C, C, C, C, G, G...</td>\n",
       "      <td>[0, 2, 2, 2, 3, 3, 3, 4, 4, 4, 5, 5, 5, 7, 7, ...</td>\n",
       "      <td>[Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...</td>\n",
       "      <td>[G, G, G, G, C, C, C, G, G, G, G, G, G, G, C, ...</td>\n",
       "      <td>[57, 56, 56, 56, 55, 55, 55, 54, 54, 54, 53, 5...</td>\n",
       "      <td>41.0</td>\n",
       "      <td>F</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>45</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[G, G, G, G, G, G, G, G, G, G, G, G, G, G, G, ...</td>\n",
       "      <td>[A, A2M, C, C, C, G, G, G, C, C, C, C, C, C, G...</td>\n",
       "      <td>[-1, 0, 2, 2, 2, 3, 3, 3, 4, 4, 4, 5, 5, 5, 7,...</td>\n",
       "      <td>[H, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...</td>\n",
       "      <td>[C, G, G, G, G, C, C, C, G, G, G, G, G, G, G, ...</td>\n",
       "      <td>[2, 57, 56, 56, 56, 55, 55, 55, 54, 54, 54, 53...</td>\n",
       "      <td>69.0</td>\n",
       "      <td>G</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>46</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[H, H, H, H, H, H, H, H, H, H, H, H, H, H, H, ...</td>\n",
       "      <td>[A2M, G, C, C, C, G, G, G, C, C, C, C, C, C, G...</td>\n",
       "      <td>[0, 1, 2, 2, 2, 3, 3, 3, 4, 4, 4, 5, 5, 5, 7, ...</td>\n",
       "      <td>[S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...</td>\n",
       "      <td>[G, C, G, G, G, C, C, C, G, G, G, G, G, G, G, ...</td>\n",
       "      <td>[57, 44, 56, 56, 56, 55, 55, 55, 54, 54, 54, 5...</td>\n",
       "      <td>98.0</td>\n",
       "      <td>H</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>47</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[P, P, P, P, P, P, P, P, P, P, P, P, P, P, P, ...</td>\n",
       "      <td>[GTP, GTP, GTP, G, G, G, C, A, A, C, C, C, C, ...</td>\n",
       "      <td>[12, 12, 12, 13, 13, 13, 14, 15, 15, 16, 16, 1...</td>\n",
       "      <td>[P, P, P, P, P, P, P, P, P, P, P, P, P, P, P, ...</td>\n",
       "      <td>[C, C, C, C, C, C, G, U, U, G, G, G, G, G, G, ...</td>\n",
       "      <td>[22, 22, 22, 21, 21, 21, 20, 19, 19, 18, 18, 1...</td>\n",
       "      <td>127.0</td>\n",
       "      <td>P</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>48</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...</td>\n",
       "      <td>[GTP, GTP, GTP, G, G, G, C, C, C, A, A, C, C, ...</td>\n",
       "      <td>[12, 12, 12, 13, 13, 13, 14, 14, 14, 15, 15, 1...</td>\n",
       "      <td>[Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...</td>\n",
       "      <td>[C, C, C, C, C, C, G, G, G, U, U, G, G, G, G, ...</td>\n",
       "      <td>[22, 22, 22, 21, 21, 21, 20, 20, 20, 19, 19, 1...</td>\n",
       "      <td>228.0</td>\n",
       "      <td>Q</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>49</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...</td>\n",
       "      <td>[GTP, GTP, GTP, G, G, G, C, C, C, A, A, C, C, ...</td>\n",
       "      <td>[12, 12, 12, 13, 13, 13, 14, 14, 14, 15, 15, 1...</td>\n",
       "      <td>[R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...</td>\n",
       "      <td>[C, C, C, C, C, C, G, G, G, U, U, G, G, G, G, ...</td>\n",
       "      <td>[22, 22, 22, 21, 21, 21, 20, 20, 20, 19, 19, 1...</td>\n",
       "      <td>345.0</td>\n",
       "      <td>R</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>50</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...</td>\n",
       "      <td>[GTP, G, C, A, A, C, C, C, C, C, C, G, G, C, C...</td>\n",
       "      <td>[12, 13, 14, 15, 15, 16, 16, 16, 17, 17, 17, 2...</td>\n",
       "      <td>[S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...</td>\n",
       "      <td>[C, C, G, U, U, G, G, G, G, G, G, A, C, G, G, ...</td>\n",
       "      <td>[22, 21, 20, 19, 19, 18, 18, 18, 17, 17, 17, 1...</td>\n",
       "      <td>460.0</td>\n",
       "      <td>S</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>51</th>\n",
       "      <td>[disulf, disulf]</td>\n",
       "      <td>[A, A]</td>\n",
       "      <td>[CYS, CYS]</td>\n",
       "      <td>[101, 203]</td>\n",
       "      <td>[A, A]</td>\n",
       "      <td>[CYS, CYS]</td>\n",
       "      <td>[164, 259]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>A</td>\n",
       "      <td>6iwg</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>52</th>\n",
       "      <td>[disulf]</td>\n",
       "      <td>[B]</td>\n",
       "      <td>[CYS]</td>\n",
       "      <td>[25]</td>\n",
       "      <td>[B]</td>\n",
       "      <td>[CYS]</td>\n",
       "      <td>[80]</td>\n",
       "      <td>2.0</td>\n",
       "      <td>B</td>\n",
       "      <td>6iwg</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>53</th>\n",
       "      <td>[metalc, metalc, metalc, metalc, metalc, metal...</td>\n",
       "      <td>[A, A, A, A, A, A, A]</td>\n",
       "      <td>[ASP, ASP, GLN, HIS, GLU, GLU, LEU]</td>\n",
       "      <td>[183, 183, 262, 263, 264, 264, 266]</td>\n",
       "      <td>[A, A, A, A, A, A, A]</td>\n",
       "      <td>[NA, NA, NA, NA, NA, NA, NA]</td>\n",
       "      <td>[303, 303, 301, 301, 302, 302, 301]</td>\n",
       "      <td>3.0</td>\n",
       "      <td>A</td>\n",
       "      <td>6iwg</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>54</th>\n",
       "      <td>[metalc, metalc]</td>\n",
       "      <td>[B, B]</td>\n",
       "      <td>[HIS, LEU]</td>\n",
       "      <td>[84, 87]</td>\n",
       "      <td>[B, B]</td>\n",
       "      <td>[NA, NA]</td>\n",
       "      <td>[101, 101]</td>\n",
       "      <td>10.0</td>\n",
       "      <td>B</td>\n",
       "      <td>6iwg</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>55</th>\n",
       "      <td>[covale]</td>\n",
       "      <td>[C]</td>\n",
       "      <td>[MYR]</td>\n",
       "      <td>[1]</td>\n",
       "      <td>[C]</td>\n",
       "      <td>[GLY]</td>\n",
       "      <td>[2]</td>\n",
       "      <td>12.0</td>\n",
       "      <td>C</td>\n",
       "      <td>6iwg</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>56</th>\n",
       "      <td>[metalc, metalc, metalc, metalc, metalc, metal...</td>\n",
       "      <td>[A, A, A, A, A, A, A]</td>\n",
       "      <td>[NA, NA, NA, NA, NA, NA, NA]</td>\n",
       "      <td>[301, 301, 302, 302, 302, 303, 303]</td>\n",
       "      <td>[A, A, A, A, A, A, A]</td>\n",
       "      <td>[HOH, HOH, HOH, EDO, EDO, EDO, EDO]</td>\n",
       "      <td>[472, 563, 564, 310, 310, 313, 313]</td>\n",
       "      <td>13.0</td>\n",
       "      <td>A</td>\n",
       "      <td>6iwg</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>57</th>\n",
       "      <td>[metalc, metalc, metalc, metalc, metalc]</td>\n",
       "      <td>[B, B, B, B, B]</td>\n",
       "      <td>[NA, NA, NA, NA, GLU]</td>\n",
       "      <td>[101, 101, 101, 101, 16]</td>\n",
       "      <td>[B, B, B, B, A]</td>\n",
       "      <td>[HOH, HOH, HOH, HOH, NA]</td>\n",
       "      <td>[255, 209, 278, 287, 302]</td>\n",
       "      <td>20.0</td>\n",
       "      <td>B</td>\n",
       "      <td>6iwg</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>58</th>\n",
       "      <td>[metalc]</td>\n",
       "      <td>[A]</td>\n",
       "      <td>[NA]</td>\n",
       "      <td>[301]</td>\n",
       "      <td>[B]</td>\n",
       "      <td>[HOH]</td>\n",
       "      <td>[294]</td>\n",
       "      <td>25.0</td>\n",
       "      <td>A</td>\n",
       "      <td>6iwg</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "                            _struct_conn.conn_type_id  \\\n",
       "0   [metalc, metalc, metalc, metalc, metalc, metal...   \n",
       "1   [disulf, disulf, metalc, metalc, metalc, metal...   \n",
       "2                                            [disulf]   \n",
       "3                                            [disulf]   \n",
       "4                                    [covale, covale]   \n",
       "5                                            [covale]   \n",
       "6            [metalc, metalc, metalc, metalc, metalc]   \n",
       "7                            [metalc, metalc, metalc]   \n",
       "8                                            [metalc]   \n",
       "9                                    [metalc, metalc]   \n",
       "10  [metalc, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "11                                   [covale, covale]   \n",
       "12                                           [covale]   \n",
       "13                                   [covale, covale]   \n",
       "14                                           [covale]   \n",
       "15                                   [covale, covale]   \n",
       "16                                           [covale]   \n",
       "17                                   [covale, covale]   \n",
       "18                                           [covale]   \n",
       "19                                           [metalc]   \n",
       "20                                           [metalc]   \n",
       "21                                           [metalc]   \n",
       "22                                           [metalc]   \n",
       "23  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "24  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "25  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "26  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "27  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "28  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "29  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "30  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "31                                   [covale, covale]   \n",
       "32                                           [covale]   \n",
       "33                                   [covale, covale]   \n",
       "34                                           [covale]   \n",
       "35                                   [covale, covale]   \n",
       "36                                           [covale]   \n",
       "37                                   [covale, covale]   \n",
       "38                                           [covale]   \n",
       "39                                           [metalc]   \n",
       "40                                           [metalc]   \n",
       "41                                           [metalc]   \n",
       "42                                           [metalc]   \n",
       "43  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "44  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "45  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "46  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "47  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "48  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "49  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "50  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "51                                   [disulf, disulf]   \n",
       "52                                           [disulf]   \n",
       "53  [metalc, metalc, metalc, metalc, metalc, metal...   \n",
       "54                                   [metalc, metalc]   \n",
       "55                                           [covale]   \n",
       "56  [metalc, metalc, metalc, metalc, metalc, metal...   \n",
       "57           [metalc, metalc, metalc, metalc, metalc]   \n",
       "58                                           [metalc]   \n",
       "\n",
       "                      _struct_conn.ptnr1_auth_asym_id  \\\n",
       "0   [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "1                               [A, A, A, A, A, A, A]   \n",
       "2                                                 [A]   \n",
       "3                                                 [B]   \n",
       "4                                              [A, A]   \n",
       "5                                                 [B]   \n",
       "6                                     [A, A, A, A, A]   \n",
       "7                                           [I, I, I]   \n",
       "8                                                 [E]   \n",
       "9                                              [J, J]   \n",
       "10  [I, I, I, I, I, I, I, I, I, I, I, I, I, I, I, ...   \n",
       "11                                             [E, E]   \n",
       "12                                                [P]   \n",
       "13                                             [F, F]   \n",
       "14                                                [Q]   \n",
       "15                                             [G, G]   \n",
       "16                                                [R]   \n",
       "17                                             [H, H]   \n",
       "18                                                [S]   \n",
       "19                                                [F]   \n",
       "20                                                [Q]   \n",
       "21                                                [R]   \n",
       "22                                                [F]   \n",
       "23  [E, E, E, E, E, E, E, E, E, E, E, E, E, E, E, ...   \n",
       "24  [P, P, P, P, P, P, P, P, P, P, P, P, P, P, P, ...   \n",
       "25  [F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, ...   \n",
       "26  [Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...   \n",
       "27  [G, G, G, G, G, G, G, G, G, G, G, G, G, G, G, ...   \n",
       "28  [R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...   \n",
       "29  [H, H, H, H, H, H, H, H, H, H, H, H, H, H, H, ...   \n",
       "30  [S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...   \n",
       "31                                             [E, E]   \n",
       "32                                                [P]   \n",
       "33                                             [F, F]   \n",
       "34                                                [Q]   \n",
       "35                                             [G, G]   \n",
       "36                                                [R]   \n",
       "37                                             [H, H]   \n",
       "38                                                [S]   \n",
       "39                                                [Q]   \n",
       "40                                                [G]   \n",
       "41                                                [R]   \n",
       "42                                                [Q]   \n",
       "43  [E, E, E, E, E, E, E, E, E, E, E, E, E, E, E, ...   \n",
       "44  [F, F, F, F, F, F, F, F, F, F, F, F, F, F, F, ...   \n",
       "45  [G, G, G, G, G, G, G, G, G, G, G, G, G, G, G, ...   \n",
       "46  [H, H, H, H, H, H, H, H, H, H, H, H, H, H, H, ...   \n",
       "47  [P, P, P, P, P, P, P, P, P, P, P, P, P, P, P, ...   \n",
       "48  [Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...   \n",
       "49  [R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...   \n",
       "50  [S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...   \n",
       "51                                             [A, A]   \n",
       "52                                                [B]   \n",
       "53                              [A, A, A, A, A, A, A]   \n",
       "54                                             [B, B]   \n",
       "55                                                [C]   \n",
       "56                              [A, A, A, A, A, A, A]   \n",
       "57                                    [B, B, B, B, B]   \n",
       "58                                                [A]   \n",
       "\n",
       "                      _struct_conn.ptnr1_auth_comp_id  \\\n",
       "0   [CA, CA, CA, CA, CA, CA, CA, CA, CA, CA, CA, C...   \n",
       "1                      [CYS, CYS, ZN, ZN, ZN, ZN, ZN]   \n",
       "2                                               [CYS]   \n",
       "3                                               [CYS]   \n",
       "4                                          [NAG, ASN]   \n",
       "5                                               [ASN]   \n",
       "6                                [NA, NA, NA, NA, NA]   \n",
       "7                                        [DG, DA, DG]   \n",
       "8                                               [ASP]   \n",
       "9                                            [DG, DG]   \n",
       "10  [DG, DA, DA, DT, DT, DC, DC, DC, DA, DA, DA, D...   \n",
       "11                                           [A, A2M]   \n",
       "12                                              [GTP]   \n",
       "13                                           [A, A2M]   \n",
       "14                                              [GTP]   \n",
       "15                                           [A, A2M]   \n",
       "16                                              [GTP]   \n",
       "17                                           [A, A2M]   \n",
       "18                                              [GTP]   \n",
       "19                                                [C]   \n",
       "20                                                [G]   \n",
       "21                                                [U]   \n",
       "22                                               [MG]   \n",
       "23  [A2M, G, C, C, C, C, G, G, G, C, C, C, C, G, G...   \n",
       "24  [GTP, G, C, C, C, A, A, C, C, C, C, C, C, G, A...   \n",
       "25  [A2M, G, C, C, C, G, G, G, C, C, C, C, C, C, G...   \n",
       "26  [GTP, GTP, GTP, G, G, G, C, C, C, A, A, C, C, ...   \n",
       "27  [A, G, C, C, C, C, G, G, G, C, C, C, C, C, C, ...   \n",
       "28  [GTP, G, C, C, C, A, A, C, C, C, C, G, C, C, C...   \n",
       "29  [A2M, C, C, C, G, G, G, C, C, C, C, C, C, G, G...   \n",
       "30  [GTP, GTP, GTP, G, G, G, C, C, C, A, A, C, C, ...   \n",
       "31                                           [A, A2M]   \n",
       "32                                              [GTP]   \n",
       "33                                           [A, A2M]   \n",
       "34                                              [GTP]   \n",
       "35                                           [A, A2M]   \n",
       "36                                              [GTP]   \n",
       "37                                           [A, A2M]   \n",
       "38                                              [GTP]   \n",
       "39                                              [GTP]   \n",
       "40                                                [C]   \n",
       "41                                                [A]   \n",
       "42                                               [MG]   \n",
       "43  [A2M, G, C, C, C, G, G, G, C, C, C, C, C, C, G...   \n",
       "44  [A2M, C, C, C, G, G, G, C, C, C, C, C, C, G, G...   \n",
       "45  [A, A2M, C, C, C, G, G, G, C, C, C, C, C, C, G...   \n",
       "46  [A2M, G, C, C, C, G, G, G, C, C, C, C, C, C, G...   \n",
       "47  [GTP, GTP, GTP, G, G, G, C, A, A, C, C, C, C, ...   \n",
       "48  [GTP, GTP, GTP, G, G, G, C, C, C, A, A, C, C, ...   \n",
       "49  [GTP, GTP, GTP, G, G, G, C, C, C, A, A, C, C, ...   \n",
       "50  [GTP, G, C, A, A, C, C, C, C, C, C, G, G, C, C...   \n",
       "51                                         [CYS, CYS]   \n",
       "52                                              [CYS]   \n",
       "53                [ASP, ASP, GLN, HIS, GLU, GLU, LEU]   \n",
       "54                                         [HIS, LEU]   \n",
       "55                                              [MYR]   \n",
       "56                       [NA, NA, NA, NA, NA, NA, NA]   \n",
       "57                              [NA, NA, NA, NA, GLU]   \n",
       "58                                               [NA]   \n",
       "\n",
       "                       _struct_conn.ptnr1_auth_seq_id  \\\n",
       "0   [355, 351, 351, 351, 351, 351, 353, 353, 353, ...   \n",
       "1                 [138, 210, 400, 400, 400, 400, 400]   \n",
       "2                                                [76]   \n",
       "3                                                [76]   \n",
       "4                                           [179, 65]   \n",
       "5                                                [65]   \n",
       "6                                 [1, 1, 1, 549, 549]   \n",
       "7                                     [121, 133, 100]   \n",
       "8                                                [77]   \n",
       "9                                          [217, 280]   \n",
       "10  [100, 1, 1, 2, 2, 3, 3, 3, 4, 4, 5, 5, 6, 6, 7...   \n",
       "11                                            [-1, 0]   \n",
       "12                                               [12]   \n",
       "13                                            [-1, 0]   \n",
       "14                                               [12]   \n",
       "15                                            [-1, 0]   \n",
       "16                                               [12]   \n",
       "17                                            [-1, 0]   \n",
       "18                                               [12]   \n",
       "19                                                [2]   \n",
       "20                                               [47]   \n",
       "21                                               [49]   \n",
       "22                                               [13]   \n",
       "23  [0, 1, 2, 2, 2, 2, 3, 3, 3, 4, 5, 5, 5, 7, 7, ...   \n",
       "24  [12, 13, 14, 14, 14, 15, 15, 16, 16, 16, 17, 1...   \n",
       "25  [0, 1, 2, 2, 2, 3, 3, 3, 4, 4, 4, 5, 5, 5, 7, ...   \n",
       "26  [12, 12, 12, 13, 13, 13, 14, 14, 14, 15, 15, 1...   \n",
       "27  [-1, 1, 2, 2, 2, 2, 3, 3, 3, 4, 4, 4, 5, 5, 5,...   \n",
       "28  [12, 13, 14, 14, 14, 15, 15, 16, 17, 17, 17, 2...   \n",
       "29  [0, 2, 2, 2, 3, 3, 3, 4, 4, 4, 5, 5, 5, 7, 7, ...   \n",
       "30  [12, 12, 12, 13, 13, 13, 14, 14, 14, 15, 15, 1...   \n",
       "31                                            [-1, 0]   \n",
       "32                                               [12]   \n",
       "33                                            [-1, 0]   \n",
       "34                                               [12]   \n",
       "35                                            [-1, 0]   \n",
       "36                                               [12]   \n",
       "37                                            [-1, 0]   \n",
       "38                                               [12]   \n",
       "39                                               [12]   \n",
       "40                                                [2]   \n",
       "41                                               [46]   \n",
       "42                                                [2]   \n",
       "43  [0, 1, 2, 2, 2, 3, 3, 3, 4, 4, 4, 5, 5, 5, 7, ...   \n",
       "44  [0, 2, 2, 2, 3, 3, 3, 4, 4, 4, 5, 5, 5, 7, 7, ...   \n",
       "45  [-1, 0, 2, 2, 2, 3, 3, 3, 4, 4, 4, 5, 5, 5, 7,...   \n",
       "46  [0, 1, 2, 2, 2, 3, 3, 3, 4, 4, 4, 5, 5, 5, 7, ...   \n",
       "47  [12, 12, 12, 13, 13, 13, 14, 15, 15, 16, 16, 1...   \n",
       "48  [12, 12, 12, 13, 13, 13, 14, 14, 14, 15, 15, 1...   \n",
       "49  [12, 12, 12, 13, 13, 13, 14, 14, 14, 15, 15, 1...   \n",
       "50  [12, 13, 14, 15, 15, 16, 16, 16, 17, 17, 17, 2...   \n",
       "51                                         [101, 203]   \n",
       "52                                               [25]   \n",
       "53                [183, 183, 262, 263, 264, 264, 266]   \n",
       "54                                           [84, 87]   \n",
       "55                                                [1]   \n",
       "56                [301, 301, 302, 302, 302, 303, 303]   \n",
       "57                           [101, 101, 101, 101, 16]   \n",
       "58                                              [301]   \n",
       "\n",
       "                      _struct_conn.ptnr2_auth_asym_id  \\\n",
       "0   [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "1                               [A, A, A, A, A, A, A]   \n",
       "2                                                 [A]   \n",
       "3                                                 [B]   \n",
       "4                                              [A, A]   \n",
       "5                                                 [B]   \n",
       "6                                     [A, A, A, A, A]   \n",
       "7                                           [I, I, I]   \n",
       "8                                                 [E]   \n",
       "9                                              [J, J]   \n",
       "10  [I, J, J, J, J, J, J, J, J, J, J, J, J, J, J, ...   \n",
       "11                                             [E, E]   \n",
       "12                                                [P]   \n",
       "13                                             [F, F]   \n",
       "14                                                [Q]   \n",
       "15                                             [G, G]   \n",
       "16                                                [R]   \n",
       "17                                             [H, H]   \n",
       "18                                                [S]   \n",
       "19                                                [F]   \n",
       "20                                                [Q]   \n",
       "21                                                [Q]   \n",
       "22                                                [Q]   \n",
       "23  [P, P, P, P, P, F, P, P, P, P, P, P, P, P, P, ...   \n",
       "24  [P, P, P, P, P, P, P, P, P, P, P, P, P, P, P, ...   \n",
       "25  [Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...   \n",
       "26  [Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...   \n",
       "27  [H, R, R, R, R, H, R, R, R, R, R, R, R, R, R, ...   \n",
       "28  [R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...   \n",
       "29  [S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...   \n",
       "30  [S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...   \n",
       "31                                             [E, E]   \n",
       "32                                                [P]   \n",
       "33                                             [F, F]   \n",
       "34                                                [Q]   \n",
       "35                                             [G, G]   \n",
       "36                                                [R]   \n",
       "37                                             [H, H]   \n",
       "38                                                [S]   \n",
       "39                                                [Q]   \n",
       "40                                                [G]   \n",
       "41                                                [R]   \n",
       "42                                                [F]   \n",
       "43  [P, P, F, P, P, P, P, P, P, P, P, P, P, P, P, ...   \n",
       "44  [Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...   \n",
       "45  [H, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...   \n",
       "46  [S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...   \n",
       "47  [P, P, P, P, P, P, P, P, P, P, P, P, P, P, P, ...   \n",
       "48  [Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...   \n",
       "49  [R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...   \n",
       "50  [S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...   \n",
       "51                                             [A, A]   \n",
       "52                                                [B]   \n",
       "53                              [A, A, A, A, A, A, A]   \n",
       "54                                             [B, B]   \n",
       "55                                                [C]   \n",
       "56                              [A, A, A, A, A, A, A]   \n",
       "57                                    [B, B, B, B, A]   \n",
       "58                                                [B]   \n",
       "\n",
       "                      _struct_conn.ptnr2_auth_comp_id  \\\n",
       "0   [ETA, GLY, ILE, GLY, ASP, ASP, GLU, GLY, GLY, ...   \n",
       "1                 [CYS, CYS, HIS, GLU, GLU, HIS, HOH]   \n",
       "2                                               [CYS]   \n",
       "3                                               [CYS]   \n",
       "4                                          [NAG, NAG]   \n",
       "5                                               [NDG]   \n",
       "6                           [ILE, THR, HOH, HOH, ARG]   \n",
       "7                                        [MN, MN, MN]   \n",
       "8                                                [MN]   \n",
       "9                                            [MN, MN]   \n",
       "10  [MN, DT, DT, DA, DA, DG, DG, DG, DT, DT, DT, D...   \n",
       "11                                           [A2M, G]   \n",
       "12                                                [G]   \n",
       "13                                           [A2M, G]   \n",
       "14                                                [G]   \n",
       "15                                           [A2M, G]   \n",
       "16                                                [G]   \n",
       "17                                           [A2M, G]   \n",
       "18                                                [G]   \n",
       "19                                               [MG]   \n",
       "20                                               [MG]   \n",
       "21                                               [MG]   \n",
       "22                                              [HOH]   \n",
       "23  [G, C, G, G, G, A, C, C, C, G, G, G, G, C, C, ...   \n",
       "24  [C, C, G, G, G, U, U, G, G, G, G, G, G, A, C, ...   \n",
       "25  [G, C, G, G, G, C, C, C, G, G, G, G, G, G, G, ...   \n",
       "26  [C, C, C, C, C, C, G, G, G, U, U, G, G, G, G, ...   \n",
       "27  [C, C, G, G, G, A, C, C, C, G, G, G, G, G, G, ...   \n",
       "28  [C, C, G, G, G, U, U, G, G, G, G, A, G, G, G, ...   \n",
       "29  [G, G, G, G, C, C, C, G, G, G, G, G, G, C, C, ...   \n",
       "30  [C, C, C, C, C, C, G, G, G, U, U, G, G, G, G, ...   \n",
       "31                                           [A2M, G]   \n",
       "32                                                [G]   \n",
       "33                                           [A2M, G]   \n",
       "34                                                [G]   \n",
       "35                                           [A2M, G]   \n",
       "36                                                [G]   \n",
       "37                                           [A2M, G]   \n",
       "38                                                [G]   \n",
       "39                                               [MG]   \n",
       "40                                               [MG]   \n",
       "41                                               [MG]   \n",
       "42                                              [HOH]   \n",
       "43  [G, C, A, G, G, C, C, C, G, G, G, G, G, G, G, ...   \n",
       "44  [G, G, G, G, C, C, C, G, G, G, G, G, G, G, C, ...   \n",
       "45  [C, G, G, G, G, C, C, C, G, G, G, G, G, G, G, ...   \n",
       "46  [G, C, G, G, G, C, C, C, G, G, G, G, G, G, G, ...   \n",
       "47  [C, C, C, C, C, C, G, U, U, G, G, G, G, G, G, ...   \n",
       "48  [C, C, C, C, C, C, G, G, G, U, U, G, G, G, G, ...   \n",
       "49  [C, C, C, C, C, C, G, G, G, U, U, G, G, G, G, ...   \n",
       "50  [C, C, G, U, U, G, G, G, G, G, G, A, C, G, G, ...   \n",
       "51                                         [CYS, CYS]   \n",
       "52                                              [CYS]   \n",
       "53                       [NA, NA, NA, NA, NA, NA, NA]   \n",
       "54                                           [NA, NA]   \n",
       "55                                              [GLY]   \n",
       "56                [HOH, HOH, HOH, EDO, EDO, EDO, EDO]   \n",
       "57                           [HOH, HOH, HOH, HOH, NA]   \n",
       "58                                              [HOH]   \n",
       "\n",
       "                       _struct_conn.ptnr2_auth_seq_id  \\\n",
       "0   [360, 34, 32, 36, 76, 76, 232, 192, 187, 190, ...   \n",
       "1                    [161, 244, 69, 72, 72, 196, 401]   \n",
       "2                                               [175]   \n",
       "3                                               [175]   \n",
       "4                                          [180, 179]   \n",
       "5                                               [178]   \n",
       "6                         [449, 452, 2004, 2006, 519]   \n",
       "7                                  [1002, 1003, 1001]   \n",
       "8                                              [1001]   \n",
       "9                                        [1003, 1002]   \n",
       "10  [1001, 292, 292, 291, 291, 290, 290, 290, 289,...   \n",
       "11                                             [0, 1]   \n",
       "12                                               [13]   \n",
       "13                                             [0, 1]   \n",
       "14                                               [13]   \n",
       "15                                             [0, 1]   \n",
       "16                                               [13]   \n",
       "17                                             [0, 1]   \n",
       "18                                               [13]   \n",
       "19                                               [13]   \n",
       "20                                               [10]   \n",
       "21                                               [10]   \n",
       "22                                              [151]   \n",
       "23  [57, 44, 56, 56, 56, -1, 55, 55, 55, 54, 53, 5...   \n",
       "24  [22, 21, 20, 20, 20, 19, 19, 18, 18, 18, 17, 1...   \n",
       "25  [57, 44, 56, 56, 56, 55, 55, 55, 54, 54, 54, 5...   \n",
       "26  [22, 22, 22, 21, 21, 21, 20, 20, 20, 19, 19, 1...   \n",
       "27  [2, 44, 56, 56, 56, -1, 55, 55, 55, 54, 54, 54...   \n",
       "28  [22, 21, 20, 20, 20, 19, 19, 18, 17, 17, 17, 1...   \n",
       "29  [57, 56, 56, 56, 55, 55, 55, 54, 54, 54, 53, 5...   \n",
       "30  [22, 22, 22, 21, 21, 21, 20, 20, 20, 19, 19, 1...   \n",
       "31                                             [0, 1]   \n",
       "32                                               [13]   \n",
       "33                                             [0, 1]   \n",
       "34                                               [13]   \n",
       "35                                             [0, 1]   \n",
       "36                                               [13]   \n",
       "37                                             [0, 1]   \n",
       "38                                               [13]   \n",
       "39                                                [4]   \n",
       "40                                               [12]   \n",
       "41                                                [3]   \n",
       "42                                               [37]   \n",
       "43  [57, 44, -1, 56, 56, 55, 55, 55, 54, 54, 54, 5...   \n",
       "44  [57, 56, 56, 56, 55, 55, 55, 54, 54, 54, 53, 5...   \n",
       "45  [2, 57, 56, 56, 56, 55, 55, 55, 54, 54, 54, 53...   \n",
       "46  [57, 44, 56, 56, 56, 55, 55, 55, 54, 54, 54, 5...   \n",
       "47  [22, 22, 22, 21, 21, 21, 20, 19, 19, 18, 18, 1...   \n",
       "48  [22, 22, 22, 21, 21, 21, 20, 20, 20, 19, 19, 1...   \n",
       "49  [22, 22, 22, 21, 21, 21, 20, 20, 20, 19, 19, 1...   \n",
       "50  [22, 21, 20, 19, 19, 18, 18, 18, 17, 17, 17, 1...   \n",
       "51                                         [164, 259]   \n",
       "52                                               [80]   \n",
       "53                [303, 303, 301, 301, 302, 302, 301]   \n",
       "54                                         [101, 101]   \n",
       "55                                                [2]   \n",
       "56                [472, 563, 564, 310, 310, 313, 313]   \n",
       "57                          [255, 209, 278, 287, 302]   \n",
       "58                                              [294]   \n",
       "\n",
       "    _struct_conn.ptnr1_auth_asym_id_index _struct_conn.ptnr1_auth_asym_id_li  \\\n",
       "0                                     0.0                                  A   \n",
       "1                                     0.0                                  A   \n",
       "2                                     0.0                                  A   \n",
       "3                                     1.0                                  B   \n",
       "4                                     2.0                                  A   \n",
       "5                                     4.0                                  B   \n",
       "6                                     0.0                                  A   \n",
       "7                                     0.0                                  I   \n",
       "8                                     3.0                                  E   \n",
       "9                                     4.0                                  J   \n",
       "10                                    6.0                                  I   \n",
       "11                                    0.0                                  E   \n",
       "12                                    2.0                                  P   \n",
       "13                                    3.0                                  F   \n",
       "14                                    5.0                                  Q   \n",
       "15                                    6.0                                  G   \n",
       "16                                    8.0                                  R   \n",
       "17                                    9.0                                  H   \n",
       "18                                   11.0                                  S   \n",
       "19                                   12.0                                  F   \n",
       "20                                   13.0                                  Q   \n",
       "21                                   14.0                                  R   \n",
       "22                                   15.0                                  F   \n",
       "23                                   16.0                                  E   \n",
       "24                                   38.0                                  P   \n",
       "25                                  141.0                                  F   \n",
       "26                                  169.0                                  Q   \n",
       "27                                  273.0                                  G   \n",
       "28                                  300.0                                  R   \n",
       "29                                  404.0                                  H   \n",
       "30                                  428.0                                  S   \n",
       "31                                    0.0                                  E   \n",
       "32                                    2.0                                  P   \n",
       "33                                    3.0                                  F   \n",
       "34                                    5.0                                  Q   \n",
       "35                                    6.0                                  G   \n",
       "36                                    8.0                                  R   \n",
       "37                                    9.0                                  H   \n",
       "38                                   11.0                                  S   \n",
       "39                                   12.0                                  Q   \n",
       "40                                   13.0                                  G   \n",
       "41                                   14.0                                  R   \n",
       "42                                   15.0                                  Q   \n",
       "43                                   16.0                                  E   \n",
       "44                                   41.0                                  F   \n",
       "45                                   69.0                                  G   \n",
       "46                                   98.0                                  H   \n",
       "47                                  127.0                                  P   \n",
       "48                                  228.0                                  Q   \n",
       "49                                  345.0                                  R   \n",
       "50                                  460.0                                  S   \n",
       "51                                    0.0                                  A   \n",
       "52                                    2.0                                  B   \n",
       "53                                    3.0                                  A   \n",
       "54                                   10.0                                  B   \n",
       "55                                   12.0                                  C   \n",
       "56                                   13.0                                  A   \n",
       "57                                   20.0                                  B   \n",
       "58                                   25.0                                  A   \n",
       "\n",
       "   pdb_id  \n",
       "0    1aii  \n",
       "1    1aye  \n",
       "2    1dfv  \n",
       "3    1dfv  \n",
       "4    1dfv  \n",
       "5    1dfv  \n",
       "6    2xyn  \n",
       "7    3azm  \n",
       "8    3azm  \n",
       "9    3azm  \n",
       "10   3azm  \n",
       "11   3g8t  \n",
       "12   3g8t  \n",
       "13   3g8t  \n",
       "14   3g8t  \n",
       "15   3g8t  \n",
       "16   3g8t  \n",
       "17   3g8t  \n",
       "18   3g8t  \n",
       "19   3g8t  \n",
       "20   3g8t  \n",
       "21   3g8t  \n",
       "22   3g8t  \n",
       "23   3g8t  \n",
       "24   3g8t  \n",
       "25   3g8t  \n",
       "26   3g8t  \n",
       "27   3g8t  \n",
       "28   3g8t  \n",
       "29   3g8t  \n",
       "30   3g8t  \n",
       "31   3g96  \n",
       "32   3g96  \n",
       "33   3g96  \n",
       "34   3g96  \n",
       "35   3g96  \n",
       "36   3g96  \n",
       "37   3g96  \n",
       "38   3g96  \n",
       "39   3g96  \n",
       "40   3g96  \n",
       "41   3g96  \n",
       "42   3g96  \n",
       "43   3g96  \n",
       "44   3g96  \n",
       "45   3g96  \n",
       "46   3g96  \n",
       "47   3g96  \n",
       "48   3g96  \n",
       "49   3g96  \n",
       "50   3g96  \n",
       "51   6iwg  \n",
       "52   6iwg  \n",
       "53   6iwg  \n",
       "54   6iwg  \n",
       "55   6iwg  \n",
       "56   6iwg  \n",
       "57   6iwg  \n",
       "58   6iwg  "
      ]
     },
     "execution_count": 107,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "def getLigandDf(df, i):\n",
    "    spe_col_list = ['_struct_conn.conn_type_id','_struct_conn.ptnr1_auth_asym_id',\n",
    "                             '_struct_conn.ptnr1_auth_comp_id','_struct_conn.ptnr1_auth_seq_id',\n",
    "                             '_struct_conn.ptnr2_auth_asym_id','_struct_conn.ptnr2_auth_comp_id',\n",
    "                             '_struct_conn.ptnr2_auth_seq_id','_struct_conn.ptnr1_auth_asym_id_index',\n",
    "                             '_struct_conn.ptnr1_auth_asym_id_li']\n",
    "\n",
    "    a = pd.DataFrame({key: df.loc[i,key] for key in spe_col_list})\n",
    "    a['pdb_id'] = df.loc[i, 'pdb_id']\n",
    "    return a\n",
    "\n",
    "ligand_df_li = []\n",
    "for i in df.index:\n",
    "    ligand_df_li.append(getLigandDf(df,i))\n",
    "\n",
    "ligand_dfrm = pd.concat(ligand_df_li,ignore_index=True)\n",
    "ligand_dfrm"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 120,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/html": [
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       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
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       "\n",
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       "        text-align: right;\n",
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       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>_struct_conn.conn_type_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_asym_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_comp_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_seq_id</th>\n",
       "      <th>_struct_conn.ptnr2_auth_asym_id</th>\n",
       "      <th>_struct_conn.ptnr2_auth_comp_id</th>\n",
       "      <th>_struct_conn.ptnr2_auth_seq_id</th>\n",
       "      <th>_struct_conn.ptnr2_auth_asym_id_index</th>\n",
       "      <th>_struct_conn.ptnr2_auth_asym_id_li</th>\n",
       "      <th>pdb_id</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>[metalc, metalc, metalc, metalc, metalc, metal...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[CA, CA, CA, CA, CA, CA, CA, CA, CA, CA, CA, C...</td>\n",
       "      <td>[353, 351, 351, 355, 357, 355, 355, 353, 353, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[ARG, ASP, ASP, ETA, GLU, GLU, GLU, GLU, GLU, ...</td>\n",
       "      <td>[190, 76, 76, 360, 148, 195, 195, 232, 232, 23...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>A</td>\n",
       "      <td>1aii</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>[disulf, disulf, metalc, metalc, metalc, metal...</td>\n",
       "      <td>[A, A, A, A, A, A, A]</td>\n",
       "      <td>[CYS, CYS, ZN, ZN, ZN, ZN, ZN]</td>\n",
       "      <td>[138, 210, 400, 400, 400, 400, 400]</td>\n",
       "      <td>[A, A, A, A, A, A, A]</td>\n",
       "      <td>[CYS, CYS, GLU, GLU, HIS, HIS, HOH]</td>\n",
       "      <td>[161, 244, 72, 72, 196, 69, 401]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>A</td>\n",
       "      <td>1aye</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>[disulf, covale, covale]</td>\n",
       "      <td>[A, A, A]</td>\n",
       "      <td>[CYS, ASN, NAG]</td>\n",
       "      <td>[76, 65, 179]</td>\n",
       "      <td>[A, A, A]</td>\n",
       "      <td>[CYS, NAG, NAG]</td>\n",
       "      <td>[175, 179, 180]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>A</td>\n",
       "      <td>1dfv</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>[disulf, covale]</td>\n",
       "      <td>[B, B]</td>\n",
       "      <td>[CYS, ASN]</td>\n",
       "      <td>[76, 65]</td>\n",
       "      <td>[B, B]</td>\n",
       "      <td>[CYS, NDG]</td>\n",
       "      <td>[175, 178]</td>\n",
       "      <td>3.0</td>\n",
       "      <td>B</td>\n",
       "      <td>1dfv</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>[metalc, metalc, metalc, metalc, metalc]</td>\n",
       "      <td>[A, A, A, A, A]</td>\n",
       "      <td>[NA, NA, NA, NA, NA]</td>\n",
       "      <td>[549, 1, 549, 1, 1]</td>\n",
       "      <td>[A, A, A, A, A]</td>\n",
       "      <td>[ARG, HOH, HOH, ILE, THR]</td>\n",
       "      <td>[519, 2004, 2006, 449, 452]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>A</td>\n",
       "      <td>2xyn</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>[metalc]</td>\n",
       "      <td>[E]</td>\n",
       "      <td>[ASP]</td>\n",
       "      <td>[77]</td>\n",
       "      <td>[E]</td>\n",
       "      <td>[MN]</td>\n",
       "      <td>[1001]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>E</td>\n",
       "      <td>3azm</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>[metalc, metalc, metalc, metalc]</td>\n",
       "      <td>[I, I, I, I]</td>\n",
       "      <td>[DG, DG, DG, DA]</td>\n",
       "      <td>[100, 100, 121, 133]</td>\n",
       "      <td>[I, I, I, I]</td>\n",
       "      <td>[MN, MN, MN, MN]</td>\n",
       "      <td>[1001, 1001, 1002, 1003]</td>\n",
       "      <td>1.0</td>\n",
       "      <td>I</td>\n",
       "      <td>3azm</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[I, I, I, I, I, I, I, I, I, I, I, I, I, I, I, ...</td>\n",
       "      <td>[DT, DT, DT, DT, DT, DT, DT, DT, DC, DT, DT, D...</td>\n",
       "      <td>[143, 143, 142, 142, 140, 140, 136, 136, 129, ...</td>\n",
       "      <td>[J, J, J, J, J, J, J, J, J, J, J, J, J, J, J, ...</td>\n",
       "      <td>[DA, DA, DA, DA, DA, DA, DA, DA, DA, DA, DA, D...</td>\n",
       "      <td>[150, 150, 151, 151, 153, 153, 157, 157, 163, ...</td>\n",
       "      <td>5.0</td>\n",
       "      <td>J</td>\n",
       "      <td>3azm</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>[covale, covale]</td>\n",
       "      <td>[E, E]</td>\n",
       "      <td>[A, A2M]</td>\n",
       "      <td>[-1, 0]</td>\n",
       "      <td>[E, E]</td>\n",
       "      <td>[A2M, G]</td>\n",
       "      <td>[0, 1]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>E</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>[hydrog, hydrog, covale, covale, metalc]</td>\n",
       "      <td>[E, P, F, F, F]</td>\n",
       "      <td>[C, G, A, A2M, C]</td>\n",
       "      <td>[2, 56, -1, 0, 2]</td>\n",
       "      <td>[F, F, F, F, F]</td>\n",
       "      <td>[A, A, A2M, G, MG]</td>\n",
       "      <td>[-1, -1, 0, 1, 13]</td>\n",
       "      <td>2.0</td>\n",
       "      <td>F</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>[covale, covale]</td>\n",
       "      <td>[G, G]</td>\n",
       "      <td>[A, A2M]</td>\n",
       "      <td>[-1, 0]</td>\n",
       "      <td>[G, G]</td>\n",
       "      <td>[A2M, G]</td>\n",
       "      <td>[0, 1]</td>\n",
       "      <td>7.0</td>\n",
       "      <td>G</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>[hydrog, hydrog, covale, hydrog, covale]</td>\n",
       "      <td>[G, R, H, G, H]</td>\n",
       "      <td>[C, G, A, A, A2M]</td>\n",
       "      <td>[2, 56, -1, -1, 0]</td>\n",
       "      <td>[H, H, H, H, H]</td>\n",
       "      <td>[A, A, A2M, C, G]</td>\n",
       "      <td>[-1, -1, 0, 2, 1]</td>\n",
       "      <td>9.0</td>\n",
       "      <td>H</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[P, P, P, P, P, P, P, P, P, P, P, P, P, P, E, ...</td>\n",
       "      <td>[G, U, U, A, A, G, U, U, U, U, U, U, U, U, U, ...</td>\n",
       "      <td>[24, 105, 105, 100, 100, 30, 97, 91, 91, 92, 9...</td>\n",
       "      <td>[P, P, P, P, P, P, P, P, P, P, P, P, P, P, P, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[112, 116, 116, 121, 121, 123, 125, 131, 131, ...</td>\n",
       "      <td>14.0</td>\n",
       "      <td>P</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, F, F, Q, ...</td>\n",
       "      <td>[G, G, U, A, A, G, U, U, U, U, U, U, U, U, U, ...</td>\n",
       "      <td>[109, 24, 105, 100, 100, 30, 92, 92, 91, 91, 9...</td>\n",
       "      <td>[Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[112, 112, 116, 121, 121, 123, 130, 130, 131, ...</td>\n",
       "      <td>138.0</td>\n",
       "      <td>Q</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[R, R, R, R, R, R, R, R, R, R, R, R, R, R, G, ...</td>\n",
       "      <td>[G, G, U, U, G, U, U, U, U, U, U, U, U, U, U, ...</td>\n",
       "      <td>[109, 24, 105, 105, 30, 97, 92, 92, 91, 91, 90...</td>\n",
       "      <td>[R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[112, 112, 116, 116, 123, 125, 130, 130, 131, ...</td>\n",
       "      <td>274.0</td>\n",
       "      <td>R</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[S, S, S, S, S, S, S, S, S, S, S, H, H, S, S, ...</td>\n",
       "      <td>[A, A, U, U, U, U, U, U, U, U, U, U, U, U, U, ...</td>\n",
       "      <td>[100, 100, 92, 92, 91, 91, 90, 90, 76, 76, 73,...</td>\n",
       "      <td>[S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[121, 121, 130, 130, 131, 131, 132, 132, 138, ...</td>\n",
       "      <td>403.0</td>\n",
       "      <td>S</td>\n",
       "      <td>3g8t</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>[covale, covale]</td>\n",
       "      <td>[E, E]</td>\n",
       "      <td>[A, A2M]</td>\n",
       "      <td>[-1, 0]</td>\n",
       "      <td>[E, E]</td>\n",
       "      <td>[A2M, G]</td>\n",
       "      <td>[0, 1]</td>\n",
       "      <td>0.0</td>\n",
       "      <td>E</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>[hydrog, covale, covale, metalc]</td>\n",
       "      <td>[E, F, F, Q]</td>\n",
       "      <td>[C, A, A2M, MG]</td>\n",
       "      <td>[2, -1, 0, 2]</td>\n",
       "      <td>[F, F, F, F]</td>\n",
       "      <td>[A, A2M, G, HOH]</td>\n",
       "      <td>[-1, 0, 1, 37]</td>\n",
       "      <td>2.0</td>\n",
       "      <td>F</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18</th>\n",
       "      <td>[covale, covale, metalc]</td>\n",
       "      <td>[G, G, G]</td>\n",
       "      <td>[A, A2M, C]</td>\n",
       "      <td>[-1, 0, 2]</td>\n",
       "      <td>[G, G, G]</td>\n",
       "      <td>[A2M, G, MG]</td>\n",
       "      <td>[0, 1, 12]</td>\n",
       "      <td>6.0</td>\n",
       "      <td>G</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>19</th>\n",
       "      <td>[covale, hydrog, covale]</td>\n",
       "      <td>[H, G, H]</td>\n",
       "      <td>[A, A, A2M]</td>\n",
       "      <td>[-1, -1, 0]</td>\n",
       "      <td>[H, H, H]</td>\n",
       "      <td>[A2M, C, G]</td>\n",
       "      <td>[0, 2, 1]</td>\n",
       "      <td>9.0</td>\n",
       "      <td>H</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>20</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[P, P, P, P, P, P, P, P, P, P, P, P, E, E, P, ...</td>\n",
       "      <td>[G, G, U, U, A, G, U, U, U, U, U, U, U, U, U, ...</td>\n",
       "      <td>[109, 24, 105, 105, 100, 30, 92, 90, 90, 76, 7...</td>\n",
       "      <td>[P, P, P, P, P, P, P, P, P, P, P, P, P, P, P, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[112, 112, 116, 116, 121, 123, 130, 132, 132, ...</td>\n",
       "      <td>12.0</td>\n",
       "      <td>P</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>21</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...</td>\n",
       "      <td>[G, G, U, U, A, A, G, U, U, U, U, U, U, U, U, ...</td>\n",
       "      <td>[109, 24, 105, 105, 100, 100, 30, 92, 92, 91, ...</td>\n",
       "      <td>[Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[112, 112, 116, 116, 121, 121, 123, 130, 130, ...</td>\n",
       "      <td>138.0</td>\n",
       "      <td>Q</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>22</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...</td>\n",
       "      <td>[G, G, U, U, A, A, G, U, U, U, U, U, U, A, U, ...</td>\n",
       "      <td>[109, 24, 105, 105, 100, 100, 30, 92, 92, 91, ...</td>\n",
       "      <td>[R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[112, 112, 116, 116, 121, 121, 123, 130, 130, ...</td>\n",
       "      <td>284.0</td>\n",
       "      <td>R</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>23</th>\n",
       "      <td>[hydrog, hydrog, hydrog, hydrog, hydrog, hydro...</td>\n",
       "      <td>[S, S, S, S, S, S, S, S, S, S, H, H, S, S, S, ...</td>\n",
       "      <td>[G, G, U, U, A, G, U, U, U, U, U, U, U, U, U, ...</td>\n",
       "      <td>[109, 24, 105, 105, 100, 30, 96, 92, 91, 76, 1...</td>\n",
       "      <td>[S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[112, 112, 116, 116, 121, 123, 125, 130, 131, ...</td>\n",
       "      <td>430.0</td>\n",
       "      <td>S</td>\n",
       "      <td>3g96</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>24</th>\n",
       "      <td>[disulf, disulf, metalc, metalc, metalc, metal...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, B, ...</td>\n",
       "      <td>[CYS, CYS, NA, NA, NA, NA, NA, NA, NA, GLN, HI...</td>\n",
       "      <td>[101, 203, 302, 302, 303, 303, 301, 301, 302, ...</td>\n",
       "      <td>[A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...</td>\n",
       "      <td>[CYS, CYS, EDO, EDO, EDO, EDO, HOH, HOH, HOH, ...</td>\n",
       "      <td>[164, 259, 310, 310, 313, 313, 472, 563, 564, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>A</td>\n",
       "      <td>6iwg</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>25</th>\n",
       "      <td>[disulf, metalc, metalc, metalc, metalc, metal...</td>\n",
       "      <td>[B, B, B, B, B, A, B, B]</td>\n",
       "      <td>[CYS, NA, NA, NA, NA, NA, HIS, LEU]</td>\n",
       "      <td>[25, 101, 101, 101, 101, 301, 84, 87]</td>\n",
       "      <td>[B, B, B, B, B, B, B, B]</td>\n",
       "      <td>[CYS, HOH, HOH, HOH, HOH, HOH, NA, NA]</td>\n",
       "      <td>[80, 209, 255, 278, 287, 294, 101, 101]</td>\n",
       "      <td>17.0</td>\n",
       "      <td>B</td>\n",
       "      <td>6iwg</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>26</th>\n",
       "      <td>[covale]</td>\n",
       "      <td>[C]</td>\n",
       "      <td>[MYR]</td>\n",
       "      <td>[1]</td>\n",
       "      <td>[C]</td>\n",
       "      <td>[GLY]</td>\n",
       "      <td>[2]</td>\n",
       "      <td>25.0</td>\n",
       "      <td>C</td>\n",
       "      <td>6iwg</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "                            _struct_conn.conn_type_id  \\\n",
       "0   [metalc, metalc, metalc, metalc, metalc, metal...   \n",
       "1   [disulf, disulf, metalc, metalc, metalc, metal...   \n",
       "2                            [disulf, covale, covale]   \n",
       "3                                    [disulf, covale]   \n",
       "4            [metalc, metalc, metalc, metalc, metalc]   \n",
       "5                                            [metalc]   \n",
       "6                    [metalc, metalc, metalc, metalc]   \n",
       "7   [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "8                                    [covale, covale]   \n",
       "9            [hydrog, hydrog, covale, covale, metalc]   \n",
       "10                                   [covale, covale]   \n",
       "11           [hydrog, hydrog, covale, hydrog, covale]   \n",
       "12  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "13  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "14  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "15  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "16                                   [covale, covale]   \n",
       "17                   [hydrog, covale, covale, metalc]   \n",
       "18                           [covale, covale, metalc]   \n",
       "19                           [covale, hydrog, covale]   \n",
       "20  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "21  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "22  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "23  [hydrog, hydrog, hydrog, hydrog, hydrog, hydro...   \n",
       "24  [disulf, disulf, metalc, metalc, metalc, metal...   \n",
       "25  [disulf, metalc, metalc, metalc, metalc, metal...   \n",
       "26                                           [covale]   \n",
       "\n",
       "                      _struct_conn.ptnr1_auth_asym_id  \\\n",
       "0   [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "1                               [A, A, A, A, A, A, A]   \n",
       "2                                           [A, A, A]   \n",
       "3                                              [B, B]   \n",
       "4                                     [A, A, A, A, A]   \n",
       "5                                                 [E]   \n",
       "6                                        [I, I, I, I]   \n",
       "7   [I, I, I, I, I, I, I, I, I, I, I, I, I, I, I, ...   \n",
       "8                                              [E, E]   \n",
       "9                                     [E, P, F, F, F]   \n",
       "10                                             [G, G]   \n",
       "11                                    [G, R, H, G, H]   \n",
       "12  [P, P, P, P, P, P, P, P, P, P, P, P, P, P, E, ...   \n",
       "13  [Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, F, F, Q, ...   \n",
       "14  [R, R, R, R, R, R, R, R, R, R, R, R, R, R, G, ...   \n",
       "15  [S, S, S, S, S, S, S, S, S, S, S, H, H, S, S, ...   \n",
       "16                                             [E, E]   \n",
       "17                                       [E, F, F, Q]   \n",
       "18                                          [G, G, G]   \n",
       "19                                          [H, G, H]   \n",
       "20  [P, P, P, P, P, P, P, P, P, P, P, P, E, E, P, ...   \n",
       "21  [Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...   \n",
       "22  [R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...   \n",
       "23  [S, S, S, S, S, S, S, S, S, S, H, H, S, S, S, ...   \n",
       "24  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, B, ...   \n",
       "25                           [B, B, B, B, B, A, B, B]   \n",
       "26                                                [C]   \n",
       "\n",
       "                      _struct_conn.ptnr1_auth_comp_id  \\\n",
       "0   [CA, CA, CA, CA, CA, CA, CA, CA, CA, CA, CA, C...   \n",
       "1                      [CYS, CYS, ZN, ZN, ZN, ZN, ZN]   \n",
       "2                                     [CYS, ASN, NAG]   \n",
       "3                                          [CYS, ASN]   \n",
       "4                                [NA, NA, NA, NA, NA]   \n",
       "5                                               [ASP]   \n",
       "6                                    [DG, DG, DG, DA]   \n",
       "7   [DT, DT, DT, DT, DT, DT, DT, DT, DC, DT, DT, D...   \n",
       "8                                            [A, A2M]   \n",
       "9                                   [C, G, A, A2M, C]   \n",
       "10                                           [A, A2M]   \n",
       "11                                  [C, G, A, A, A2M]   \n",
       "12  [G, U, U, A, A, G, U, U, U, U, U, U, U, U, U, ...   \n",
       "13  [G, G, U, A, A, G, U, U, U, U, U, U, U, U, U, ...   \n",
       "14  [G, G, U, U, G, U, U, U, U, U, U, U, U, U, U, ...   \n",
       "15  [A, A, U, U, U, U, U, U, U, U, U, U, U, U, U, ...   \n",
       "16                                           [A, A2M]   \n",
       "17                                    [C, A, A2M, MG]   \n",
       "18                                        [A, A2M, C]   \n",
       "19                                        [A, A, A2M]   \n",
       "20  [G, G, U, U, A, G, U, U, U, U, U, U, U, U, U, ...   \n",
       "21  [G, G, U, U, A, A, G, U, U, U, U, U, U, U, U, ...   \n",
       "22  [G, G, U, U, A, A, G, U, U, U, U, U, U, A, U, ...   \n",
       "23  [G, G, U, U, A, G, U, U, U, U, U, U, U, U, U, ...   \n",
       "24  [CYS, CYS, NA, NA, NA, NA, NA, NA, NA, GLN, HI...   \n",
       "25                [CYS, NA, NA, NA, NA, NA, HIS, LEU]   \n",
       "26                                              [MYR]   \n",
       "\n",
       "                       _struct_conn.ptnr1_auth_seq_id  \\\n",
       "0   [353, 351, 351, 355, 357, 355, 355, 353, 353, ...   \n",
       "1                 [138, 210, 400, 400, 400, 400, 400]   \n",
       "2                                       [76, 65, 179]   \n",
       "3                                            [76, 65]   \n",
       "4                                 [549, 1, 549, 1, 1]   \n",
       "5                                                [77]   \n",
       "6                                [100, 100, 121, 133]   \n",
       "7   [143, 143, 142, 142, 140, 140, 136, 136, 129, ...   \n",
       "8                                             [-1, 0]   \n",
       "9                                   [2, 56, -1, 0, 2]   \n",
       "10                                            [-1, 0]   \n",
       "11                                 [2, 56, -1, -1, 0]   \n",
       "12  [24, 105, 105, 100, 100, 30, 97, 91, 91, 92, 9...   \n",
       "13  [109, 24, 105, 100, 100, 30, 92, 92, 91, 91, 9...   \n",
       "14  [109, 24, 105, 105, 30, 97, 92, 92, 91, 91, 90...   \n",
       "15  [100, 100, 92, 92, 91, 91, 90, 90, 76, 76, 73,...   \n",
       "16                                            [-1, 0]   \n",
       "17                                      [2, -1, 0, 2]   \n",
       "18                                         [-1, 0, 2]   \n",
       "19                                        [-1, -1, 0]   \n",
       "20  [109, 24, 105, 105, 100, 30, 92, 90, 90, 76, 7...   \n",
       "21  [109, 24, 105, 105, 100, 100, 30, 92, 92, 91, ...   \n",
       "22  [109, 24, 105, 105, 100, 100, 30, 92, 92, 91, ...   \n",
       "23  [109, 24, 105, 105, 100, 30, 96, 92, 91, 76, 1...   \n",
       "24  [101, 203, 302, 302, 303, 303, 301, 301, 302, ...   \n",
       "25              [25, 101, 101, 101, 101, 301, 84, 87]   \n",
       "26                                                [1]   \n",
       "\n",
       "                      _struct_conn.ptnr2_auth_asym_id  \\\n",
       "0   [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "1                               [A, A, A, A, A, A, A]   \n",
       "2                                           [A, A, A]   \n",
       "3                                              [B, B]   \n",
       "4                                     [A, A, A, A, A]   \n",
       "5                                                 [E]   \n",
       "6                                        [I, I, I, I]   \n",
       "7   [J, J, J, J, J, J, J, J, J, J, J, J, J, J, J, ...   \n",
       "8                                              [E, E]   \n",
       "9                                     [F, F, F, F, F]   \n",
       "10                                             [G, G]   \n",
       "11                                    [H, H, H, H, H]   \n",
       "12  [P, P, P, P, P, P, P, P, P, P, P, P, P, P, P, ...   \n",
       "13  [Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...   \n",
       "14  [R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...   \n",
       "15  [S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...   \n",
       "16                                             [E, E]   \n",
       "17                                       [F, F, F, F]   \n",
       "18                                          [G, G, G]   \n",
       "19                                          [H, H, H]   \n",
       "20  [P, P, P, P, P, P, P, P, P, P, P, P, P, P, P, ...   \n",
       "21  [Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, Q, ...   \n",
       "22  [R, R, R, R, R, R, R, R, R, R, R, R, R, R, R, ...   \n",
       "23  [S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, ...   \n",
       "24  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "25                           [B, B, B, B, B, B, B, B]   \n",
       "26                                                [C]   \n",
       "\n",
       "                      _struct_conn.ptnr2_auth_comp_id  \\\n",
       "0   [ARG, ASP, ASP, ETA, GLU, GLU, GLU, GLU, GLU, ...   \n",
       "1                 [CYS, CYS, GLU, GLU, HIS, HIS, HOH]   \n",
       "2                                     [CYS, NAG, NAG]   \n",
       "3                                          [CYS, NDG]   \n",
       "4                           [ARG, HOH, HOH, ILE, THR]   \n",
       "5                                                [MN]   \n",
       "6                                    [MN, MN, MN, MN]   \n",
       "7   [DA, DA, DA, DA, DA, DA, DA, DA, DA, DA, DA, D...   \n",
       "8                                            [A2M, G]   \n",
       "9                                  [A, A, A2M, G, MG]   \n",
       "10                                           [A2M, G]   \n",
       "11                                  [A, A, A2M, C, G]   \n",
       "12  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "13  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "14  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "15  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "16                                           [A2M, G]   \n",
       "17                                   [A, A2M, G, HOH]   \n",
       "18                                       [A2M, G, MG]   \n",
       "19                                        [A2M, C, G]   \n",
       "20  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "21  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "22  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "23  [A, A, A, A, A, A, A, A, A, A, A, A, A, A, A, ...   \n",
       "24  [CYS, CYS, EDO, EDO, EDO, EDO, HOH, HOH, HOH, ...   \n",
       "25             [CYS, HOH, HOH, HOH, HOH, HOH, NA, NA]   \n",
       "26                                              [GLY]   \n",
       "\n",
       "                       _struct_conn.ptnr2_auth_seq_id  \\\n",
       "0   [190, 76, 76, 360, 148, 195, 195, 232, 232, 23...   \n",
       "1                    [161, 244, 72, 72, 196, 69, 401]   \n",
       "2                                     [175, 179, 180]   \n",
       "3                                          [175, 178]   \n",
       "4                         [519, 2004, 2006, 449, 452]   \n",
       "5                                              [1001]   \n",
       "6                            [1001, 1001, 1002, 1003]   \n",
       "7   [150, 150, 151, 151, 153, 153, 157, 157, 163, ...   \n",
       "8                                              [0, 1]   \n",
       "9                                  [-1, -1, 0, 1, 13]   \n",
       "10                                             [0, 1]   \n",
       "11                                  [-1, -1, 0, 2, 1]   \n",
       "12  [112, 116, 116, 121, 121, 123, 125, 131, 131, ...   \n",
       "13  [112, 112, 116, 121, 121, 123, 130, 130, 131, ...   \n",
       "14  [112, 112, 116, 116, 123, 125, 130, 130, 131, ...   \n",
       "15  [121, 121, 130, 130, 131, 131, 132, 132, 138, ...   \n",
       "16                                             [0, 1]   \n",
       "17                                     [-1, 0, 1, 37]   \n",
       "18                                         [0, 1, 12]   \n",
       "19                                          [0, 2, 1]   \n",
       "20  [112, 112, 116, 116, 121, 123, 130, 132, 132, ...   \n",
       "21  [112, 112, 116, 116, 121, 121, 123, 130, 130, ...   \n",
       "22  [112, 112, 116, 116, 121, 121, 123, 130, 130, ...   \n",
       "23  [112, 112, 116, 116, 121, 123, 125, 130, 131, ...   \n",
       "24  [164, 259, 310, 310, 313, 313, 472, 563, 564, ...   \n",
       "25            [80, 209, 255, 278, 287, 294, 101, 101]   \n",
       "26                                                [2]   \n",
       "\n",
       "    _struct_conn.ptnr2_auth_asym_id_index _struct_conn.ptnr2_auth_asym_id_li  \\\n",
       "0                                     0.0                                  A   \n",
       "1                                     0.0                                  A   \n",
       "2                                     0.0                                  A   \n",
       "3                                     3.0                                  B   \n",
       "4                                     0.0                                  A   \n",
       "5                                     0.0                                  E   \n",
       "6                                     1.0                                  I   \n",
       "7                                     5.0                                  J   \n",
       "8                                     0.0                                  E   \n",
       "9                                     2.0                                  F   \n",
       "10                                    7.0                                  G   \n",
       "11                                    9.0                                  H   \n",
       "12                                   14.0                                  P   \n",
       "13                                  138.0                                  Q   \n",
       "14                                  274.0                                  R   \n",
       "15                                  403.0                                  S   \n",
       "16                                    0.0                                  E   \n",
       "17                                    2.0                                  F   \n",
       "18                                    6.0                                  G   \n",
       "19                                    9.0                                  H   \n",
       "20                                   12.0                                  P   \n",
       "21                                  138.0                                  Q   \n",
       "22                                  284.0                                  R   \n",
       "23                                  430.0                                  S   \n",
       "24                                    0.0                                  A   \n",
       "25                                   17.0                                  B   \n",
       "26                                   25.0                                  C   \n",
       "\n",
       "   pdb_id  \n",
       "0    1aii  \n",
       "1    1aye  \n",
       "2    1dfv  \n",
       "3    1dfv  \n",
       "4    2xyn  \n",
       "5    3azm  \n",
       "6    3azm  \n",
       "7    3azm  \n",
       "8    3g8t  \n",
       "9    3g8t  \n",
       "10   3g8t  \n",
       "11   3g8t  \n",
       "12   3g8t  \n",
       "13   3g8t  \n",
       "14   3g8t  \n",
       "15   3g8t  \n",
       "16   3g96  \n",
       "17   3g96  \n",
       "18   3g96  \n",
       "19   3g96  \n",
       "20   3g96  \n",
       "21   3g96  \n",
       "22   3g96  \n",
       "23   3g96  \n",
       "24   6iwg  \n",
       "25   6iwg  \n",
       "26   6iwg  "
      ]
     },
     "execution_count": 120,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "def getLigandDf(df, i):\n",
    "    spe_col_list = ['_struct_conn.conn_type_id','_struct_conn.ptnr1_auth_asym_id',\n",
    "                             '_struct_conn.ptnr1_auth_comp_id','_struct_conn.ptnr1_auth_seq_id',\n",
    "                             '_struct_conn.ptnr2_auth_asym_id','_struct_conn.ptnr2_auth_comp_id',\n",
    "                             '_struct_conn.ptnr2_auth_seq_id','_struct_conn.ptnr2_auth_asym_id_index',\n",
    "                             '_struct_conn.ptnr2_auth_asym_id_li']\n",
    "\n",
    "    a = pd.DataFrame({key: df.loc[i,key] for key in spe_col_list})\n",
    "    a['pdb_id'] = df.loc[i, 'pdb_id']\n",
    "    return a\n",
    "\n",
    "ligand_df_li = []\n",
    "for i in df.index:\n",
    "    ligand_df_li.append(getLigandDf(df,i))\n",
    "\n",
    "ligand_dfrm = pd.concat(ligand_df_li,ignore_index=True)\n",
    "ligand_dfrm"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 121,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "_struct_conn.conn_type_id                [disulf, metalc, metalc, metalc, metalc, metal...\n",
       "_struct_conn.ptnr1_auth_asym_id                                   [B, B, B, B, B, A, B, B]\n",
       "_struct_conn.ptnr1_auth_comp_id                        [CYS, NA, NA, NA, NA, NA, HIS, LEU]\n",
       "_struct_conn.ptnr1_auth_seq_id                       [25, 101, 101, 101, 101, 301, 84, 87]\n",
       "_struct_conn.ptnr2_auth_asym_id                                   [B, B, B, B, B, B, B, B]\n",
       "_struct_conn.ptnr2_auth_comp_id                     [CYS, HOH, HOH, HOH, HOH, HOH, NA, NA]\n",
       "_struct_conn.ptnr2_auth_seq_id                     [80, 209, 255, 278, 287, 294, 101, 101]\n",
       "_struct_conn.ptnr2_auth_asym_id_index                                                   17\n",
       "_struct_conn.ptnr2_auth_asym_id_li                                                       B\n",
       "pdb_id                                                                                6iwg\n",
       "Name: 25, dtype: object"
      ]
     },
     "execution_count": 121,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "ligand_dfrm.loc[25,]"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "#### Comon Info\n",
    "```pdb_id, method, initial_version_time, newest_version_time, resolution```\n",
    "\n",
    "#### Mutation (All chains, All Entities)\n",
    "```_entity.pdbx_mutation``` $\\rightarrow$ ```mutation_num``` + ```_entity.id```\n",
    "\n",
    "#### Type (All chains but have to split, Some Entities)\n",
    "```_entity_poly.entity_id``` + ```_entity_poly.pdbx_strand_id``` + ```_entity_poly.type```\n",
    "\n",
    "#### SEQRES (All chains, Some Entities)\n",
    "\n",
    "```\n",
    "_pdbx_poly_seq_scheme.mon_id\n",
    "_pdbx_poly_seq_scheme.ndb_seq_num\n",
    "_pdbx_poly_seq_scheme.pdb_seq_num\n",
    "_pdbx_poly_seq_scheme.auth_seq_num\n",
    "_pdbx_poly_seq_scheme.pdb_mon_id\n",
    "_pdbx_poly_seq_scheme.auth_mon_id\n",
    "_pdbx_poly_seq_scheme.pdb_strand_id # (All Chains)\n",
    "_pdbx_poly_seq_scheme.pdb_ins_code\n",
    "```\n",
    "\n",
    "#### Ligand (Some chains)\n",
    "```\n",
    "_struct_conn.conn_type_id\n",
    "_struct_conn.ptnr1_auth_asym_id\n",
    "_struct_conn.ptnr1_auth_comp_id\n",
    "_struct_conn.ptnr1_auth_seq_id\n",
    "_struct_conn.ptnr2_auth_asym_id\n",
    "_struct_conn.ptnr2_auth_comp_id\n",
    "_struct_conn.ptnr2_auth_seq_id\n",
    "_struct_conn.ptnr1_auth_asym_id_index\n",
    "_struct_conn.ptnr1_auth_asym_id_li\n",
    "```"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "C:/Users/Nature/Desktop/LiGroup/Filter_new_20190123/doc_in/2xyn.cif\n",
      "C:/Users/Nature/Desktop/LiGroup/mmcif_files/5js2.cif\n",
      "C:/Users/Nature/Desktop/LiGroup/Filter_new_20190123/doc_in/6oon.cif\n",
      "C:/Users/Nature/Desktop/LiGroup/Filter_new_20190123/doc_in/6d7s.cif\n"
     ]
    }
   ],
   "source": [
    "mmcif_demo = MMCIF_unit()\n",
    "mmcif_demo.script_fun(['2xyn', '5js2','6oon','6d7s'], ['./1.tsv', './2.tsv'])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Help on function file_o in module Unit:\n",
      "\n",
      "file_o(self, path, df, mode='w+', header=True)\n",
      "\n"
     ]
    }
   ],
   "source": [
    "help(Unit.file_o)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>pdb_id</th>\n",
       "      <th>method</th>\n",
       "      <th>_entity.pdbx_mutation</th>\n",
       "      <th>_entity.id</th>\n",
       "      <th>_entity_poly.entity_id</th>\n",
       "      <th>_entity_poly.pdbx_strand_id</th>\n",
       "      <th>_entity_poly.type</th>\n",
       "      <th>_pdbx_poly_seq_scheme.pdb_strand_id</th>\n",
       "      <th>_pdbx_poly_seq_scheme.mon_id</th>\n",
       "      <th>_pdbx_poly_seq_scheme.pdb_mon_id</th>\n",
       "      <th>...</th>\n",
       "      <th>_struct_conn.conn_type_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_asym_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_comp_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_seq_id</th>\n",
       "      <th>_struct_conn.ptnr2_auth_asym_id_li</th>\n",
       "      <th>_struct_conn.ptnr2_auth_asym_id_index</th>\n",
       "      <th>initial_version_time</th>\n",
       "      <th>newest_version_time</th>\n",
       "      <th>mutation_num</th>\n",
       "      <th>resolution</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>2xyn</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>['?', '?', '?', '?', '?']</td>\n",
       "      <td>['1', '2', '3', '4', '5']</td>\n",
       "      <td>['1']</td>\n",
       "      <td>['A,B,C']</td>\n",
       "      <td>['polypeptide(L)']</td>\n",
       "      <td>['A', 'B', 'C']</td>\n",
       "      <td>['MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQ...</td>\n",
       "      <td>['?????????????????????????KWEMERTDITMKHKLGGGQ...</td>\n",
       "      <td>...</td>\n",
       "      <td>[['metalc', 'metalc', 'metalc', 'metalc', 'met...</td>\n",
       "      <td>[['A', 'A', 'A', 'A', 'A']]</td>\n",
       "      <td>[['NA', 'NA', 'NA', 'NA', 'NA']]</td>\n",
       "      <td>[['549', '1', '549', '1', '1']]</td>\n",
       "      <td>['A']</td>\n",
       "      <td>[0]</td>\n",
       "      <td>2010-12-01</td>\n",
       "      <td>2019-04-03</td>\n",
       "      <td>[0, 0, 0, 0, 0]</td>\n",
       "      <td>2.810</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>5js2</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>['S387D', '?', '?', '?', '?', '?']</td>\n",
       "      <td>['1', '2', '3', '4', '5', '6']</td>\n",
       "      <td>['1', '2']</td>\n",
       "      <td>['A', 'B']</td>\n",
       "      <td>['polypeptide(L)', 'polyribonucleotide']</td>\n",
       "      <td>['A', 'B']</td>\n",
       "      <td>['MYSGAGPALAPPAPPPPIQGYAFKPPPRPDFGTSGRTIKLQANF...</td>\n",
       "      <td>['??????????????????????FKPPPRPDFGTSGRTIKLQANF...</td>\n",
       "      <td>...</td>\n",
       "      <td>[['metalc', 'metalc', 'metalc'], ['covale', 'c...</td>\n",
       "      <td>[['A', 'A', 'A'], ['B', 'B', 'B', 'B', 'B']]</td>\n",
       "      <td>[['ASP', 'ASP', 'VAL'], ['F2T', 'UFT', '6OP', ...</td>\n",
       "      <td>[['597', '597', '598'], ['902', '904', '901', ...</td>\n",
       "      <td>['A', 'B']</td>\n",
       "      <td>[0, 3]</td>\n",
       "      <td>2016-07-20</td>\n",
       "      <td>2016-08-10</td>\n",
       "      <td>[1, 0, 0, 0, 0, 0]</td>\n",
       "      <td>2.954</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>6oon</td>\n",
       "      <td>X-RAY DIFFRACTION</td>\n",
       "      <td>['?', '?', '?']</td>\n",
       "      <td>['1', '2', '3']</td>\n",
       "      <td>['1', '2']</td>\n",
       "      <td>['A', 'B']</td>\n",
       "      <td>['polypeptide(L)', 'polyribonucleotide']</td>\n",
       "      <td>['A', 'B']</td>\n",
       "      <td>['GSMEALGPGPPASLFQPPRRPGLGTVGKPIRLLANHFQVQIPKI...</td>\n",
       "      <td>['?????????????LFQPPRRPGLGTVGKPIRLLANHFQVQIPKI...</td>\n",
       "      <td>...</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>2019-07-31</td>\n",
       "      <td>2019-07-31</td>\n",
       "      <td>[0, 0, 0]</td>\n",
       "      <td>1.900</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>6d7s</td>\n",
       "      <td>ELECTRON MICROSCOPY</td>\n",
       "      <td>['Y467A']</td>\n",
       "      <td>['1']</td>\n",
       "      <td>['1']</td>\n",
       "      <td>['A,B,C,D']</td>\n",
       "      <td>['polypeptide(L)']</td>\n",
       "      <td>['A', 'B', 'C', 'D']</td>\n",
       "      <td>['MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRI...</td>\n",
       "      <td>['???????????????????????????SWAQSRDEQNLLQQKRI...</td>\n",
       "      <td>...</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>[]</td>\n",
       "      <td>2018-07-18</td>\n",
       "      <td>2018-07-18</td>\n",
       "      <td>[1]</td>\n",
       "      <td>4.340</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>4 rows × 28 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "  pdb_id               method               _entity.pdbx_mutation  \\\n",
       "0   2xyn    X-RAY DIFFRACTION           ['?', '?', '?', '?', '?']   \n",
       "1   5js2    X-RAY DIFFRACTION  ['S387D', '?', '?', '?', '?', '?']   \n",
       "2   6oon    X-RAY DIFFRACTION                     ['?', '?', '?']   \n",
       "3   6d7s  ELECTRON MICROSCOPY                           ['Y467A']   \n",
       "\n",
       "                       _entity.id _entity_poly.entity_id  \\\n",
       "0       ['1', '2', '3', '4', '5']                  ['1']   \n",
       "1  ['1', '2', '3', '4', '5', '6']             ['1', '2']   \n",
       "2                 ['1', '2', '3']             ['1', '2']   \n",
       "3                           ['1']                  ['1']   \n",
       "\n",
       "  _entity_poly.pdbx_strand_id                         _entity_poly.type  \\\n",
       "0                   ['A,B,C']                        ['polypeptide(L)']   \n",
       "1                  ['A', 'B']  ['polypeptide(L)', 'polyribonucleotide']   \n",
       "2                  ['A', 'B']  ['polypeptide(L)', 'polyribonucleotide']   \n",
       "3                 ['A,B,C,D']                        ['polypeptide(L)']   \n",
       "\n",
       "  _pdbx_poly_seq_scheme.pdb_strand_id  \\\n",
       "0                     ['A', 'B', 'C']   \n",
       "1                          ['A', 'B']   \n",
       "2                          ['A', 'B']   \n",
       "3                ['A', 'B', 'C', 'D']   \n",
       "\n",
       "                        _pdbx_poly_seq_scheme.mon_id  \\\n",
       "0  ['MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQ...   \n",
       "1  ['MYSGAGPALAPPAPPPPIQGYAFKPPPRPDFGTSGRTIKLQANF...   \n",
       "2  ['GSMEALGPGPPASLFQPPRRPGLGTVGKPIRLLANHFQVQIPKI...   \n",
       "3  ['MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRI...   \n",
       "\n",
       "                    _pdbx_poly_seq_scheme.pdb_mon_id  ...  \\\n",
       "0  ['?????????????????????????KWEMERTDITMKHKLGGGQ...  ...   \n",
       "1  ['??????????????????????FKPPPRPDFGTSGRTIKLQANF...  ...   \n",
       "2  ['?????????????LFQPPRRPGLGTVGKPIRLLANHFQVQIPKI...  ...   \n",
       "3  ['???????????????????????????SWAQSRDEQNLLQQKRI...  ...   \n",
       "\n",
       "                           _struct_conn.conn_type_id  \\\n",
       "0  [['metalc', 'metalc', 'metalc', 'metalc', 'met...   \n",
       "1  [['metalc', 'metalc', 'metalc'], ['covale', 'c...   \n",
       "2                                                 []   \n",
       "3                                                 []   \n",
       "\n",
       "                _struct_conn.ptnr1_auth_asym_id  \\\n",
       "0                   [['A', 'A', 'A', 'A', 'A']]   \n",
       "1  [['A', 'A', 'A'], ['B', 'B', 'B', 'B', 'B']]   \n",
       "2                                            []   \n",
       "3                                            []   \n",
       "\n",
       "                     _struct_conn.ptnr1_auth_comp_id  \\\n",
       "0                   [['NA', 'NA', 'NA', 'NA', 'NA']]   \n",
       "1  [['ASP', 'ASP', 'VAL'], ['F2T', 'UFT', '6OP', ...   \n",
       "2                                                 []   \n",
       "3                                                 []   \n",
       "\n",
       "                      _struct_conn.ptnr1_auth_seq_id  \\\n",
       "0                    [['549', '1', '549', '1', '1']]   \n",
       "1  [['597', '597', '598'], ['902', '904', '901', ...   \n",
       "2                                                 []   \n",
       "3                                                 []   \n",
       "\n",
       "  _struct_conn.ptnr2_auth_asym_id_li _struct_conn.ptnr2_auth_asym_id_index  \\\n",
       "0                              ['A']                                   [0]   \n",
       "1                         ['A', 'B']                                [0, 3]   \n",
       "2                                 []                                    []   \n",
       "3                                 []                                    []   \n",
       "\n",
       "  initial_version_time newest_version_time        mutation_num resolution  \n",
       "0           2010-12-01          2019-04-03     [0, 0, 0, 0, 0]      2.810  \n",
       "1           2016-07-20          2016-08-10  [1, 0, 0, 0, 0, 0]      2.954  \n",
       "2           2019-07-31          2019-07-31           [0, 0, 0]      1.900  \n",
       "3           2018-07-18          2018-07-18                 [1]      4.340  \n",
       "\n",
       "[4 rows x 28 columns]"
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pd.read_csv('./1.tsv',sep='\\t')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>entity_id</th>\n",
       "      <th>protein_type</th>\n",
       "      <th>pdb_id</th>\n",
       "      <th>chain_id</th>\n",
       "      <th>_pdbx_poly_seq_scheme.mon_id</th>\n",
       "      <th>_pdbx_poly_seq_scheme.pdb_mon_id</th>\n",
       "      <th>_pdbx_poly_seq_scheme.auth_mon_id</th>\n",
       "      <th>_pdbx_poly_seq_scheme.ndb_seq_num</th>\n",
       "      <th>_pdbx_poly_seq_scheme.pdb_seq_num</th>\n",
       "      <th>_pdbx_poly_seq_scheme.auth_seq_num</th>\n",
       "      <th>...</th>\n",
       "      <th>_struct_conn.ptnr2_auth_asym_id</th>\n",
       "      <th>_struct_conn.ptnr2_auth_comp_id</th>\n",
       "      <th>_struct_conn.ptnr2_auth_seq_id</th>\n",
       "      <th>_struct_conn.conn_type_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_asym_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_comp_id</th>\n",
       "      <th>_struct_conn.ptnr1_auth_seq_id</th>\n",
       "      <th>_struct_conn.ptnr2_auth_asym_id_index</th>\n",
       "      <th>mutation_content</th>\n",
       "      <th>mutation_num</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>2xyn</td>\n",
       "      <td>A</td>\n",
       "      <td>MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>?????????????????????????KWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>?????????????????????????KWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>255;256;257;258;259;260;261;262;263;264;265;26...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>['A', 'A', 'A', 'A', 'A']</td>\n",
       "      <td>['ARG', 'HOH', 'HOH', 'ILE', 'THR']</td>\n",
       "      <td>['519', '2004', '2006', '449', '452']</td>\n",
       "      <td>['metalc', 'metalc', 'metalc', 'metalc', 'meta...</td>\n",
       "      <td>['A', 'A', 'A', 'A', 'A']</td>\n",
       "      <td>['NA', 'NA', 'NA', 'NA', 'NA']</td>\n",
       "      <td>['549', '1', '549', '1', '1']</td>\n",
       "      <td>0.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>2xyn</td>\n",
       "      <td>B</td>\n",
       "      <td>MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>?????????????????????????KWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>?????????????????????????KWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>255;256;257;258;259;260;261;262;263;264;265;26...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>2xyn</td>\n",
       "      <td>C</td>\n",
       "      <td>MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>??????????????????????????WEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>??????????????????????????WEMERTDITMKHKLGGGQYG...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>255;256;257;258;259;260;261;262;263;264;265;26...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>5js2</td>\n",
       "      <td>A</td>\n",
       "      <td>MYSGAGPALAPPAPPPPIQGYAFKPPPRPDFGTSGRTIKLQANFFE...</td>\n",
       "      <td>??????????????????????FKPPPRPDFGTSGRTIKLQANFFE...</td>\n",
       "      <td>??????????????????????FKPPPRPDFGTSGRTIKLQANFFE...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;23...</td>\n",
       "      <td>...</td>\n",
       "      <td>['A', 'A', 'A']</td>\n",
       "      <td>['MG', 'MG', 'MG']</td>\n",
       "      <td>['904', '904', '904']</td>\n",
       "      <td>['metalc', 'metalc', 'metalc']</td>\n",
       "      <td>['A', 'A', 'A']</td>\n",
       "      <td>['ASP', 'ASP', 'VAL']</td>\n",
       "      <td>['597', '597', '598']</td>\n",
       "      <td>0.0</td>\n",
       "      <td>S387D</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>5js2</td>\n",
       "      <td>B</td>\n",
       "      <td>XXXXXX</td>\n",
       "      <td>XXXXXX</td>\n",
       "      <td>XXXXXX</td>\n",
       "      <td>1;2;3;4;5;6</td>\n",
       "      <td>901;902;903;904;905;906</td>\n",
       "      <td>901;902;903;904;905;906</td>\n",
       "      <td>...</td>\n",
       "      <td>['B', 'B', 'B', 'B', 'B']</td>\n",
       "      <td>['6NW', '6OO', 'F2T', 'UFT', 'UFT']</td>\n",
       "      <td>['903', '905', '902', '904', '906']</td>\n",
       "      <td>['covale', 'covale', 'covale', 'covale', 'cova...</td>\n",
       "      <td>['B', 'B', 'B', 'B', 'B']</td>\n",
       "      <td>['F2T', 'UFT', '6OP', '6NW', '6OO']</td>\n",
       "      <td>['902', '904', '901', '903', '905']</td>\n",
       "      <td>3.0</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6oon</td>\n",
       "      <td>A</td>\n",
       "      <td>GSMEALGPGPPASLFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...</td>\n",
       "      <td>?????????????LFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...</td>\n",
       "      <td>?????????????LFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>-1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;12;13;14;15;16;17;18...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>2</td>\n",
       "      <td>polyribonucleotide</td>\n",
       "      <td>6oon</td>\n",
       "      <td>B</td>\n",
       "      <td>AAAAAAAAAAUU</td>\n",
       "      <td>AAAAAAAAAAUU</td>\n",
       "      <td>AAAAAAAAAAUU</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;15;20;21</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;15;20;21</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>?</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6d7s</td>\n",
       "      <td>A</td>\n",
       "      <td>MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y467A</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6d7s</td>\n",
       "      <td>B</td>\n",
       "      <td>MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y467A</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6d7s</td>\n",
       "      <td>C</td>\n",
       "      <td>MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y467A</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>1</td>\n",
       "      <td>polypeptide(L)</td>\n",
       "      <td>6d7s</td>\n",
       "      <td>D</td>\n",
       "      <td>MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>???????????????????????????SWAQSRDEQNLLQQKRIWE...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...</td>\n",
       "      <td>?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Y467A</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>11 rows × 25 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "    entity_id        protein_type pdb_id chain_id  \\\n",
       "0           1      polypeptide(L)   2xyn        A   \n",
       "1           1      polypeptide(L)   2xyn        B   \n",
       "2           1      polypeptide(L)   2xyn        C   \n",
       "3           1      polypeptide(L)   5js2        A   \n",
       "4           2  polyribonucleotide   5js2        B   \n",
       "5           1      polypeptide(L)   6oon        A   \n",
       "6           2  polyribonucleotide   6oon        B   \n",
       "7           1      polypeptide(L)   6d7s        A   \n",
       "8           1      polypeptide(L)   6d7s        B   \n",
       "9           1      polypeptide(L)   6d7s        C   \n",
       "10          1      polypeptide(L)   6d7s        D   \n",
       "\n",
       "                         _pdbx_poly_seq_scheme.mon_id  \\\n",
       "0   MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...   \n",
       "1   MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...   \n",
       "2   MGHHHHHHSSGVDLGTENLYFQSMDKWEMERTDITMKHKLGGGQYG...   \n",
       "3   MYSGAGPALAPPAPPPPIQGYAFKPPPRPDFGTSGRTIKLQANFFE...   \n",
       "4                                              XXXXXX   \n",
       "5   GSMEALGPGPPASLFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...   \n",
       "6                                        AAAAAAAAAAUU   \n",
       "7   MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...   \n",
       "8   MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...   \n",
       "9   MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...   \n",
       "10  MGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWE...   \n",
       "\n",
       "                     _pdbx_poly_seq_scheme.pdb_mon_id  \\\n",
       "0   ?????????????????????????KWEMERTDITMKHKLGGGQYG...   \n",
       "1   ?????????????????????????KWEMERTDITMKHKLGGGQYG...   \n",
       "2   ??????????????????????????WEMERTDITMKHKLGGGQYG...   \n",
       "3   ??????????????????????FKPPPRPDFGTSGRTIKLQANFFE...   \n",
       "4                                              XXXXXX   \n",
       "5   ?????????????LFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...   \n",
       "6                                        AAAAAAAAAAUU   \n",
       "7   ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "8   ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "9   ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "10  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "\n",
       "                    _pdbx_poly_seq_scheme.auth_mon_id  \\\n",
       "0   ?????????????????????????KWEMERTDITMKHKLGGGQYG...   \n",
       "1   ?????????????????????????KWEMERTDITMKHKLGGGQYG...   \n",
       "2   ??????????????????????????WEMERTDITMKHKLGGGQYG...   \n",
       "3   ??????????????????????FKPPPRPDFGTSGRTIKLQANFFE...   \n",
       "4                                              XXXXXX   \n",
       "5   ?????????????LFQPPRRPGLGTVGKPIRLLANHFQVQIPKIDV...   \n",
       "6                                        AAAAAAAAAAUU   \n",
       "7   ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "8   ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "9   ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "10  ???????????????????????????SWAQSRDEQNLLQQKRIWE...   \n",
       "\n",
       "                    _pdbx_poly_seq_scheme.ndb_seq_num  \\\n",
       "0   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "1   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "2   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "3   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "4                                         1;2;3;4;5;6   \n",
       "5   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "6                          1;2;3;4;5;6;7;8;9;10;11;12   \n",
       "7   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "8   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "9   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "10  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "\n",
       "                    _pdbx_poly_seq_scheme.pdb_seq_num  \\\n",
       "0   255;256;257;258;259;260;261;262;263;264;265;26...   \n",
       "1   255;256;257;258;259;260;261;262;263;264;265;26...   \n",
       "2   255;256;257;258;259;260;261;262;263;264;265;26...   \n",
       "3   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "4                             901;902;903;904;905;906   \n",
       "5   -1;0;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17...   \n",
       "6                          1;2;3;4;5;6;7;8;9;15;20;21   \n",
       "7   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "8   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "9   1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "10  1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;1...   \n",
       "\n",
       "                   _pdbx_poly_seq_scheme.auth_seq_num  ...  \\\n",
       "0   ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "1   ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "2   ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "3   ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;23...  ...   \n",
       "4                             901;902;903;904;905;906  ...   \n",
       "5   ?;?;?;?;?;?;?;?;?;?;?;?;?;12;13;14;15;16;17;18...  ...   \n",
       "6                          1;2;3;4;5;6;7;8;9;15;20;21  ...   \n",
       "7   ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "8   ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "9   ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "10  ?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;?;...  ...   \n",
       "\n",
       "   _struct_conn.ptnr2_auth_asym_id      _struct_conn.ptnr2_auth_comp_id  \\\n",
       "0        ['A', 'A', 'A', 'A', 'A']  ['ARG', 'HOH', 'HOH', 'ILE', 'THR']   \n",
       "1                              NaN                                  NaN   \n",
       "2                              NaN                                  NaN   \n",
       "3                  ['A', 'A', 'A']                   ['MG', 'MG', 'MG']   \n",
       "4        ['B', 'B', 'B', 'B', 'B']  ['6NW', '6OO', 'F2T', 'UFT', 'UFT']   \n",
       "5                              NaN                                  NaN   \n",
       "6                              NaN                                  NaN   \n",
       "7                              NaN                                  NaN   \n",
       "8                              NaN                                  NaN   \n",
       "9                              NaN                                  NaN   \n",
       "10                             NaN                                  NaN   \n",
       "\n",
       "           _struct_conn.ptnr2_auth_seq_id  \\\n",
       "0   ['519', '2004', '2006', '449', '452']   \n",
       "1                                     NaN   \n",
       "2                                     NaN   \n",
       "3                   ['904', '904', '904']   \n",
       "4     ['903', '905', '902', '904', '906']   \n",
       "5                                     NaN   \n",
       "6                                     NaN   \n",
       "7                                     NaN   \n",
       "8                                     NaN   \n",
       "9                                     NaN   \n",
       "10                                    NaN   \n",
       "\n",
       "                            _struct_conn.conn_type_id  \\\n",
       "0   ['metalc', 'metalc', 'metalc', 'metalc', 'meta...   \n",
       "1                                                 NaN   \n",
       "2                                                 NaN   \n",
       "3                      ['metalc', 'metalc', 'metalc']   \n",
       "4   ['covale', 'covale', 'covale', 'covale', 'cova...   \n",
       "5                                                 NaN   \n",
       "6                                                 NaN   \n",
       "7                                                 NaN   \n",
       "8                                                 NaN   \n",
       "9                                                 NaN   \n",
       "10                                                NaN   \n",
       "\n",
       "    _struct_conn.ptnr1_auth_asym_id      _struct_conn.ptnr1_auth_comp_id  \\\n",
       "0         ['A', 'A', 'A', 'A', 'A']       ['NA', 'NA', 'NA', 'NA', 'NA']   \n",
       "1                               NaN                                  NaN   \n",
       "2                               NaN                                  NaN   \n",
       "3                   ['A', 'A', 'A']                ['ASP', 'ASP', 'VAL']   \n",
       "4         ['B', 'B', 'B', 'B', 'B']  ['F2T', 'UFT', '6OP', '6NW', '6OO']   \n",
       "5                               NaN                                  NaN   \n",
       "6                               NaN                                  NaN   \n",
       "7                               NaN                                  NaN   \n",
       "8                               NaN                                  NaN   \n",
       "9                               NaN                                  NaN   \n",
       "10                              NaN                                  NaN   \n",
       "\n",
       "         _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id_index  \\\n",
       "0         ['549', '1', '549', '1', '1']                                   0.0   \n",
       "1                                   NaN                                   NaN   \n",
       "2                                   NaN                                   NaN   \n",
       "3                 ['597', '597', '598']                                   0.0   \n",
       "4   ['902', '904', '901', '903', '905']                                   3.0   \n",
       "5                                   NaN                                   NaN   \n",
       "6                                   NaN                                   NaN   \n",
       "7                                   NaN                                   NaN   \n",
       "8                                   NaN                                   NaN   \n",
       "9                                   NaN                                   NaN   \n",
       "10                                  NaN                                   NaN   \n",
       "\n",
       "   mutation_content mutation_num  \n",
       "0                 ?            0  \n",
       "1                 ?            0  \n",
       "2                 ?            0  \n",
       "3             S387D            1  \n",
       "4                 ?            0  \n",
       "5                 ?            0  \n",
       "6                 ?            0  \n",
       "7             Y467A            1  \n",
       "8             Y467A            1  \n",
       "9             Y467A            1  \n",
       "10            Y467A            1  \n",
       "\n",
       "[11 rows x 25 columns]"
      ]
     },
     "execution_count": 7,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pd.read_csv('./2.tsv',sep='\\t')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
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